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1H,1H-Perfluorooctanol
CAS: 307-30-2 | C8H3F15O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
307-30-2
Molecular Formula:
C8H3F15O
Molecular Mass:
400.08 g/mol
Names and Synonyms:
1H,1H-Perfluorooctanol
1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-1-octanol
1,1-Dihydropentadecafluorooctan-1-ol
1,1-Dihydroperfluorooctanol
1H,1H-Pentadecafluoro-1-octanol
(Perfluoroheptyl)methanol
1H,1H-Perfluorooctanol
Pentadecafluoro-1,1-dihydrooctanol
α,α-Dihydroperfluorooctanol
1,1-Dihydroperfluorooctyl alcohol
1,1-Dihydropentadecafluorooctanol
1H,1H-Pentadecafluorooctanol
(Pentadecafluoroheptyl)methanol
1H,1H-Pentadecafluoro-n-octanol
1H,1H-Perfluoro-1-octanol
Unitex DJ 10
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanol
Eftop PDFOH
Identifiers:
SMILES:
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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
Key Properties
Boiling Point
161 °C
CAS Common Chemistry
Melting Point
37 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 400.08 g/mol | CAS Common Chemistry |
| 400.08099999999996 g/mol | RDKit | |
| 399.99443801600006 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 |
| Molar Refractivity | 42.8228 | RDKit |
