1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane
Basic information
- CAS
865-71-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
GXSFAIDPYIEIEF-UHFFFAOYSA-N- Molecular formula
- C6F14
- Average molar mass
- 338.04 g/mol
- Monoisotopic mass
- 337.9776443
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane
- IUPAC
- 1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane
- English name
- 1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane
- Molecular formula
- C6F14
- Molecular weight
- 338.04
Names & synonyms
1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane865-71-4EINECS 212-746-6DTXSID50235603RefChem:70818DTXCID40158094212-746-6perfluoro-3-methylpentanePentane, 1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)-3Y3NH8F5CCSCHEMBL1271519FU96545
Show more names
3-(Trifluoromethyl)undecafluoropentane
Pentane, undecafluoro-3-(trifluoromethyl)-NS00019289
Database identifiers
- CAS
865-71-4- PubChem CID
- 70081
- DTXSID
DTXSID50235603- UNII
- 3Y3NH8F5CC
- EC Number
- 212-746-6
- Nikkaji
- J95.361J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 325
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -115.4 °C · -115.4°C
- Boiling point
- 55.56 °C · 55.56°C (estimate)
- Density
- 1.676 · 1.6760 (rough estimate)
- refractive index
- 1.2586 · 1.2586 (estimate)
- FDA UNII
- 3 Y3NH8F5CC · 3Y3NH8F5CC
- EPA Substance Registry System
- 1 · 1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane (865-71-4)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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