3,3'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)
Basic information
- CAS
190394-25-3- Standard SMILES
Cc1cc(C2=C(c3cc(C)sc3C)C(F)(F)C(F)(F)C2(F)F)c(C)s1- InChIKey
TWYKYBTVPCIVEN-UHFFFAOYSA-N- Molecular formula
- C17H14F6S2
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.04411177
Overview
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Names & identifiers
- Preferred name
- 3,3'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)
- IUPAC
- 3-[2-(2,5-dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2,5-dimethylthiophene
Names & synonyms
190394-25-33,3'-(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)MFCD110463363,3'-(Perfluoro-1-cyclopentene-1,2-diyl)bis(2,5-dimethylthiophene)1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopenteneSCHEMBL1039206DTXSID10893364TWYKYBTVPCIVEN-UHFFFAOYSA-NSY461641NS00109303H392753,3a(2)-(Perfluoro-1-cyclopentene-1,2-diyl)bis(2,5-dimethylthiophene)
Show more names
3,3'-(3,3,4,4,5,5-Hexafluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)3,3 inverted exclamation mark -(Perfluorocyclopent-1-ene-1,2-diyl)bis(2,5-dimethylthiophene)3-(2-(2,5-dimethyl(3-thienyl))-3,3,4,4,5,6-hexafluorocyclopent-1-enyl)-2,5-d imethylthiophene
Database identifiers
- CAS
190394-25-3- PubChem CID
- 15535876
- DTXSID
DTXSID10893364- Nikkaji
- J832.946J
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 540
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
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Compound notes
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