16alpha-Fluoroandrost-4-ene-3,17-dione

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Basic information

CAS: 1597-52-0
Standard SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](F)C[C@@H]12
InChIKey: WVGGMHNJNOYSMF-NBBHSKLNSA-N
Molecular formula: C19H25FO2
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.1838582

Overview

16alpha-Fluoroandrost-4-ene-3,17-dione is a 3-hydroxy steroid. It has a role as an androgen.

Names & identifiers

Preferred name: 16alpha-Fluoroandrost-4-ene-3,17-dione
IUPAC: (8R,9S,10R,13S,14S,16R)-16-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

16alpha-Fluoroandrost-4-ene-3,17-dione1597-52-0CHEBI:79687NSC57176NSC-57176(8R,9S,10R,13S,14S,16R)-16-fluoro-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneQ27148816

Database identifiers

CAS: 1597-52-0
PubChem CID: 245302
ChEBI: CHEBI:79687
Nikkaji: J2.793.227D

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 580

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Compound notes

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