Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-
Basic information
- CAS
13221-71-1- Standard SMILES
FC(F)(F)C1(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F- InChIKey
WEQNAYAFSPIONP-UHFFFAOYSA-N- Molecular formula
- C6F12
- Average molar mass
- 300.04 g/mol
- Monoisotopic mass
- 299.9808379
Names & identifiers
- Preferred name
- Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-
- IUPAC
- 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)cyclobutane
- English name
- 1,1,2,3,3,4-HEXAFLUORO-2,4-BIS(TRIFLUOROMETHYL)CYCLOBUTANE
- Molecular formula
- C6F12
- Molecular weight
- 300.05
Names & synonyms
Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-RefChem:58021613221-71-11,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)cyclobutaneHexafluoro-1,3-bis(trifluoromethyl)cyclobutanecis-Perfluoro-2,4-dimethylcyclobutane(2R,4R)-1,1,2,3,3,4-Hexafluoro-2,4-bis(trifluoromethyl)cyclobutane1583-97-71583-98-8SCHEMBL5395187DTXSID8065379DTXSID30897526
Show more names
hexafluoro-1,3-bis-trifluoromethyl-cyclobutane
DTXSID50880359perfluoro-1,3-dimethylcyclobutaneWEQNAYAFSPIONP-IJWZVTFUSA-N(2s,4s)-1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)cyclobutaneFH95466NS00018793NS00110157NS00111605
Database identifiers
- CAS
13221-71-1、1583-97-7、1583-98-8- PubChem CID
- 94346
- DTXSID
DTXSID8065379- Nikkaji
- J68.524K、J893.170D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)- (13221-71-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationCyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-: ACTIVE
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Related reactions
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Compound notes
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