3-Fluorocholest-5-ene
Basic information
- CAS
474-75-9- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(F)CCC4(C)C3CCC12C- InChIKey
RXVOGSPCVQCWQO-UHFFFAOYSA-N- Molecular formula
- C27H45F
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.3505296
Names & identifiers
- Preferred name
- 3-Fluorocholest-5-ene
- IUPAC
- 3-fluoro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
3-Fluorocholest-5-eneDTXSID70310401474-75-95-Cholestene, 3.beta.-fluoro-RefChem:2795255-Cholestene, 3beta-fluoro-DTXCID90261527RXVOGSPCVQCWQO-DPAQBDIFSA-NRXVOGSPCVQCWQO-FNOPAARDSA-NNSC226865SCHEMBL20470702NSC-226865
Database identifiers
- CAS
474-75-9- PubChem CID
- 313251
- DTXSID
DTXSID70310401
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 591
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Related reactions
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Compound notes
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