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Molecule
1,1,1,3,3-Pentafluorobutane
CAS: 406-58-6 · C4H5F5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 406-58-6
- Molecular Formula
- C4H5F5
- Molecular Mass
- 148.07 g/mol
Identifiers
CAS Registry Number
406-58-6
SMILES
CC(F)(F)CC(F)(F)F
InChI Key
WZLFPVPRZGTCKP-UHFFFAOYSA-N
InChI
InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3
Names and Synonyms
- 1,1,1,3,3-Pentafluorobutane Systematic Name
- Butane, 1,1,1,3,3-pentafluoro- Synonym
- 1,1,1,3,3-Pentafluorobutane Synonym
- 2,2,4,4,4-Pentafluorobutane Synonym
- R 365 Synonym
- HFC 365 Synonym
- HFC 365mfc Synonym
- Solkane 365mfc Synonym
- R 365mfc Synonym
- Solkane 365 Synonym
- HFO 365mfc Synonym
- Forane 365mfc Synonym
- 365mfc Synonym
- H 33737 Synonym
- Solkane HFC 365mfc Synonym
- HFC 365mfe Synonym
- HCFC 365mfc Synonym
- 365fa Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.07 g/mol | CAS Common Chemistry |
| 148.07399999999998 g/mol | RDKit | |
| 148.074 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.2666 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 40 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC(F)(F)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WZLFPVPRZGTCKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,3,3-Pentafluorobutane | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.594000000000001 | RDKit |
| 2.594 | RDKit | |
| Molar Refractivity | 21.292999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 148.03114126 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 148.07 g/mol; density = 1.270 g/mL. Edit any field — others recompute live.
