Basic information
- Standard SMILES
CC1(C)O[C@@H]2[C@@H](C=C(F)[C@@H]2O)O1- InChIKey
KXHQSLVTKGWHSK-DSYKOEDSSA-N- Molecular formula
- C8H11FO3
- Average molar mass
- 174.17 g/mol
- Monoisotopic mass
- 174.06922237
Names & identifiers
- Preferred name
- (3aS,4R,6aR)-5-Fluoro-2,2-dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-ol
- IUPAC
- (3aS,4R,6aR)-5-fluoro-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Names & synonyms
(3aS,4R,6aR)-5-Fluoro-2,2-dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-ol663190-27-0SCHEMBL2018747KXHQSLVTKGWHSK-DSYKOEDSSA-NCS-0255489(3aS,4R,6aR)-5-fluoro-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Database identifiers
- PubChem CID
- 58329271
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
Related reactions
2 records
Compound notes
Loading…