Basic information
- CAS
909773-27-9- Standard SMILES
CC(C)C(O)C(=O)C(F)C(C)C- InChIKey
ZCXXTLRRPNAIDM-UHFFFAOYSA-N- Molecular formula
- C9H17FO2
- Average molar mass
- 176.23 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-5-hydroxy-2,6-dimethyl-4-heptanone
- IUPAC
- 3-fluoro-5-hydroxy-2,6-dimethylheptan-4-one
- English name
- 4-Heptanone, 3-fluoro-5-hydroxy-2,6-dimethyl-
- Molecular formula
- C9H17FO2
- Molecular weight
- 0
Names & synonyms
NSC6332203-Fluoro-5-hydroxy-2,6-dimethyl-4-heptanoneNSC-6332203-fluoro-5-hydroxy-2,6-dimethyl-heptan-4-one4-Heptanone, 3-fluoro-5-hydroxy-2,6-dimethyl-
Database identifiers
- CAS
909773-27-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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