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Molecule
1H,1H-Perfluorooctanol
CAS: 307-30-2 · C8H3F15O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 307-30-2
- Molecular Formula
- C8H3F15O
- Molecular Mass
- 400.08 g/mol
Identifiers
CAS Registry Number
307-30-2
SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
PJDOLCGOTSNFJM-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2
Names and Synonyms
- 1H,1H-Perfluorooctanol Synonym
- 1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol Synonym
- 1,1-Dihydropentadecafluorooctan-1-ol Synonym
- 1,1-Dihydroperfluorooctanol Synonym
- 1H,1H-Pentadecafluoro-1-octanol Synonym
- (Perfluoroheptyl)methanol Synonym
- 1H,1H-Perfluorooctanol Synonym
- Pentadecafluoro-1,1-dihydrooctanol Synonym
- α,α-Dihydroperfluorooctanol Synonym
- 1,1-Dihydroperfluorooctyl alcohol Synonym
- 1,1-Dihydropentadecafluorooctanol Synonym
- 1H,1H-Pentadecafluorooctanol Synonym
- (Pentadecafluoroheptyl)methanol Synonym
- 1H,1H-Pentadecafluoro-n-octanol Synonym
- 1H,1H-Perfluoro-1-octanol Synonym
- Unitex DJ 10 Synonym
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanol Synonym
- Eftop PDFOH Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 400.08 g/mol | CAS Common Chemistry |
| 400.08099999999996 g/mol | RDKit | |
| 400.081 g/mol | RDKit | |
| Boiling Point | 161 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H3F15O/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h24H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PJDOLCGOTSNFJM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37 °C | CAS Common Chemistry |
| Name | 1H,1H-Perfluorooctanol | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.352800000000001 | RDKit |
| 4.3528 | RDKit | |
| Molar Refractivity | 42.8228 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 399.99443801600006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 400.08 g/mol. Edit any field — others recompute live.
