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Molecule
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
Identifiers
CAS Registry Number
431-89-0
SMILES
FC(C(F)(F)F)C(F)(F)F
InChI Key
YFMFNYKEUDLDTL-UHFFFAOYSA-N
InChI
InChI=1S/C3HF7/c4-1(2(5,6)7)3(8,9)10/h1H
Names and Synonyms
- 1,1,1,2,3,3,3-Heptafluoropropane Synonym
- Propane, 1,1,1,2,3,3,3-heptafluoro- Synonym
- 1,1,1,2,3,3,3-Heptafluoropropane Synonym
- 2H-Heptafluoropropane Synonym
- 2-Hydroperfluoropropane Synonym
- 2-Hydroheptafluoropropane Synonym
- R 227ea Synonym
- HFC 227ea Synonym
- R 227 Synonym
- HFC 227 Synonym
- TG 227 Synonym
- Apaflurane Synonym
- FM 200 (fluorocarbon) Synonym
- FM 200 Synonym
- HFA 227 Synonym
- F 227e Synonym
- 2H-Perfluoropropane Synonym
- F 227ea Synonym
- F 227 Synonym
- HFA 227ea Synonym
- HFA P227 Synonym
- Solkane 227ea Synonym
- Solkane 227 Synonym
- 1,1,1,2,3,3,3-Heptafluoro-n-propane Synonym
- HFC 227e Synonym
- HFC 227a Synonym
- HFO 227ea Synonym
- HFA 227a Synonym
- SP 350 Synonym
- FM 700 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 170.03 g/mol | CAS Common Chemistry |
| 170.027 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 |
| 2.4491 | RDKit | |
| Molar Refractivity | 17.006000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 169.996647572 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
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MW = 170.03 g/mol. Edit any field — others recompute live.
