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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
Names and Synonyms:
1H-Perfluorohexane
Hexane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexane
1H-Perfluorohexane
R 5213
HFC 52-13p
1-Hydrotridecafluorohexane
AC 2000
Asahiklin AC 2000
Identifiers:
SMILES:
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C6HF13/c7-1(8)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)19/h1H
Key Properties
Boiling Point
71-72 °C
CAS Common Chemistry
Density
1.68 g/cm³
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 | 320.05 g/mol | CAS Common Chemistry |
| 320.04799999999994 g/mol | RDKit | |
| 319.98706689200003 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.684 g/cm3 @ Temp: 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 | RDKit |
