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1,1,1,2,3,3,3-Heptafluoropropane
CAS: 431-89-0 | C3HF7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
431-89-0
Molecular Formula:
C3HF7
Molecular Mass:
170.03 g/mol
Names and Synonyms:
1,1,1,2,3,3,3-Heptafluoropropane
Propane, 1,1,1,2,3,3,3-heptafluoro-
1,1,1,2,3,3,3-Heptafluoropropane
2H-Heptafluoropropane
2-Hydroperfluoropropane
2-Hydroheptafluoropropane
R 227ea
HFC 227ea
R 227
HFC 227
TG 227
Apaflurane
FM 200 (fluorocarbon)
FM 200
HFA 227
F 227e
2H-Perfluoropropane
F 227ea
F 227
HFA 227ea
HFA P227
Solkane 227ea
Solkane 227
1,1,1,2,3,3,3-Heptafluoro-n-propane
HFC 227e
HFC 227a
HFO 227ea
HFA 227a
SP 350
FM 700
Identifiers:
SMILES:
FC(C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H
Key Properties
Boiling Point
-18 °C
CAS Common Chemistry
Melting Point
-129.5 °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 | 170.03 g/mol | CAS Common Chemistry |
| 170.027 g/mol | RDKit | |
| 169.996647572 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1,1,2,3,3,3-Heptafluoropropane | CAS Common Chemistry |
| Boiling Point | -18 °C | CAS Common Chemistry |
| Canonical SMILES | FC(C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=YFMFNYKEUDLDTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -129.5 °C | CAS Common Chemistry |
| Name | 1,1,1,2,3,3,3-Heptafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.4490999999999996 | RDKit |
| Molar Refractivity | 17.006000000000004 | RDKit |
