1-Perfluoromethylcyclohexane-1-sulfonic acid
Basic information
- CAS
72441-89-5- Standard SMILES
O=S(=O)(O)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F- InChIKey
MNVKTKIHXLQSLM-UHFFFAOYSA-N- Molecular formula
- C7HF13O3S
- Average molar mass
- 412.13 g/mol
- Monoisotopic mass
- 411.9438812
Names & identifiers
- Preferred name
- 1-Perfluoromethylcyclohexane-1-sulfonic acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic acid
Names & synonyms
1-Perfluoromethylcyclohexane-1-sulfonic acid72441-89-5DTXSID40276525RefChem:233007DTXCID102278022,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)cyclohexane-1-sulfonic AcidSCHEMBL7655296NS00011435
Database identifiers
- CAS
72441-89-5- PubChem CID
- 163196
- DTXSID
DTXSID40276525
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 609
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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