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1,1,1,3,3-Pentafluorobutane
CAS: 406-58-6 | C4H5F5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
406-58-6
Molecular Formula:
C4H5F5
Molecular Mass:
148.07 g/mol
Names and Synonyms:
1,1,1,3,3-Pentafluorobutane
Butane, 1,1,1,3,3-pentafluoro-
1,1,1,3,3-Pentafluorobutane
2,2,4,4,4-Pentafluorobutane
R 365
HFC 365
HFC 365mfc
Solkane 365mfc
R 365mfc
Solkane 365
HFO 365mfc
Forane 365mfc
365mfc
H 33737
Solkane HFC 365mfc
HFC 365mfe
HCFC 365mfc
365fa
Identifiers:
SMILES:
CC(F)(F)CC(F)(F)F
InChI:
InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3
Key Properties
Boiling Point
40 °C
CAS Common Chemistry
Density
1.27 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 | 148.07 g/mol | CAS Common Chemistry |
| 148.07399999999998 g/mol | RDKit | |
| 148.03114126 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.2666 g/cm3 @ Temp: 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 |
| Molar Refractivity | 21.292999999999996 | RDKit |
