Back to Search
Molecule
1H-Perfluorohexane
CAS: 355-37-3 · C6HF13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 355-37-3
- Molecular Formula
- C6HF13
- Molecular Mass
- 320.05 g/mol
Identifiers
CAS Registry Number
355-37-3
SMILES
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
XJSRKJAHJGCPGC-UHFFFAOYSA-N
InChI
InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
Names and Synonyms
- 1H-Perfluorohexane Synonym
- Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane Synonym
- 1H-Perfluorohexane Synonym
- R 5213 Synonym
- HFC 52-13p Synonym
- 1-Hydrotridecafluorohexane Synonym
- AC 2000 Synonym
- Asahiklin AC 2000 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 320.05 g/mol | CAS Common Chemistry |
| 320.04799999999994 g/mol | RDKit | |
| 320.048 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.684 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 71-72 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=XJSRKJAHJGCPGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H-Perfluorohexane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.355 | RDKit |
| Molar Refractivity | 31.84700000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 319.98706689200003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 320.05 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
