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Basic information
- Standard SMILES
COC(=O)C1(S(=O)(=O)c2ccccc2)CC1C(F)(F)F- InChIKey
NLTZULYMTLTJET-UHFFFAOYSA-N- Molecular formula
- C12H11F3O4S
- Average molar mass
- 308.28 g/mol
- Monoisotopic mass
- 308.03301449
Names & identifiers
- Preferred name
- Methyl 1-(benzenesulfonyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate
- IUPAC
- methyl 1-(benzenesulfonyl)-2-(trifluoromethyl)cyclopropane-1-carboxylate
Names & synonyms
NSC709498NSC-709498
Database identifiers
- PubChem CID
- 399082
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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