Perflisopent
Basic information
- CAS
594-91-2- Standard SMILES
FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
MPEFSWGYIJNMCW-UHFFFAOYSA-N- Molecular formula
- C5F12
- Average molar mass
- 288.03 g/mol
- Monoisotopic mass
- 287.9808379
Overview
Perflisopent is a small molecule drug. Perflisopent has a monoisotopic molecular weight of 287.98 Da.
Names & identifiers
- Preferred name
- Perflisopent
- IUPAC
- 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane
- English name
- Perfluoro-2-methylbutane
- Molecular formula
- C5F12
- Molecular weight
- 288.03
Names & synonyms
Perflisopentperfluoro-2-methylbutane594-91-21,1,1,2,2,3,4,4,4-Nonafluoro-3-(trifluoromethyl)butaneButane, nonafluoro-2-(trifluoromethyl)-40FAQ8ON24Butane, 1,1,1,2,3,3,4,4,4-nonafluoro-2-(trifluoromethyl)-Butane, 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)-Perflisopent [USAN]Perflisopent [USAN:INN]UNII-40FAQ8ON24Nonafluoro-2-(trifluoromethyl)butane
Show more names
2-(Trifluoromethyl)nonafluorobutane1,1,1,2,3,3,4,4,4-Nonafluoro-2-(trifluoromethyl)butane
PERFLUOROISOPENTANEperfluoro-2-methyl-butanePerflisopent (USAN/INN)PERFLISOPENT [INN]DODECAFLUOROISOPENTANEPERFLISOPENT [MART.]SCHEMBL814397CHEMBL2107082
Database identifiers
- CAS
594-91-2- PubChem CID
- 11679
- DTXSID
DTXSID9074721- ChEMBL
CHEMBL2107082- UNII
- 40FAQ8ON24
- Nikkaji
- J108.153E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 30.13 °C · 30.13°C (rough estimate)
- FDA UNII
- 40 FAQ8ON24 · 40FAQ8ON24
- EPA Substance Registry System
- 1 · Butane, 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)- (594-91-2)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
UsesDiagnostic aid. [Note—The trademark EchoGen Emulsion has been selected for the mixture of Perflenapent and Perflisopent in a ratio of 85:15, respectively.].
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Related reactions
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Compound notes
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