(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol

C22H31FO2 — CID 70348012

IUPAC(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol
SMILESC[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CCC=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)CCO
InChIInChI=1S/C22H31FO2/c1-14-12-18-15-13-19(23)17-6-4-5-8-20(17,2)16(15)7-9-21(18,3)22(14,25)10-11-24/h5-8,14-15,18-19,24-25H,4,9-13H2,1-3H3/t14-,15+,18-,19-,20+,21-,22+/m0/s1
InChIKeyAWEWLQVCSJQRPV-NUDLKYRPSA-N
MW346.49 g/mol
LogP4.34
Rot. Bonds2

About (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol

(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol (PubChem CID 70348012) has the molecular formula C22H31FO2 and a molecular weight of 346.49 g/mol. Its IUPAC name is (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol
PubChem CID70348012
Molecular FormulaC22H31FO2
Molecular Weight346.49 g/mol
Exact Mass346.23
IUPAC Name(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol
SMILESC[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CCC=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)CCO
InChIInChI=1S/C22H31FO2/c1-14-12-18-15-13-19(23)17-6-4-5-8-20(17,2)16(15)7-9-21(18,3)22(14,25)10-11-24/h5-8,14-15,18-19,24-25H,4,9-13H2,1-3H3/t14-,15+,18-,19-,20+,21-,22+/m0/s1
InChIKeyAWEWLQVCSJQRPV-NUDLKYRPSA-N
XLogP4.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-methyl (6S,10R,13S,16R,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carbothioate
CID 88907818
(8S,10R,13S,14S,17R)-17-acetyl-6-fluoro-17-hydroxy-10,13-dimethyl-16-methylidene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
CID 70468257
(6S,8S,10R,13S,14S,16R,17R)-6-fluoro-17-(furan-2-carbonyloxy)-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-17-carbothioic S-acid
CID 10205441
(8S,10R,13S,14S)-6-fluoro-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
CID 57289517
(6S,8S,10R,13S,14S)-17-(2-chloroacetyl)-6-fluoro-10,13-dimethyl-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
CID 13066982
(8S,9R,10S,13S,14S,17S)-9-fluoro-17-(2-hydroxyethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthrene-11,16,17-triol
CID 70611161
(1R,2S,10S,11S,13S,14R,15S)-14-(2-chloroethyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-ol
CID 141384200
disodium;[2-[(6S,10R,13S,16S,17R)-6-fluoro-17-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate
CID 70362329
(6S,8S,10R,13S,14S,16S,17R)-16-fluoro-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 131854680
(8S,10S,13S,14S,16R,17R)-17-(2-chloroacetyl)-17-hydroxy-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one
CID 11036147
(6S,10R,13S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13,16-tetramethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
CID 53492197
(1R,4S,6R)-1-(2-hydroxyethyl)-2,2,6-trimethylcyclohexane-1,4-diol
CID 98789228

Frequently Asked Questions

What is the IUPAC name of (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol?
The IUPAC name of (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol (CID 70348012) is (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol?
The canonical SMILES for (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol is C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CCC=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)CCO.
What is the InChIKey of (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol?
The InChIKey is AWEWLQVCSJQRPV-NUDLKYRPSA-N. The full InChI is InChI=1S/C22H31FO2/c1-14-12-18-15-13-19(23)17-6-4-5-8-20(17,2)16(15)7-9-21(18,3)22(14,25)10-11-24/h5-8,14-15,18-19,24-25H,4,9-13H2,1-3H3/t14-,15+,18-,19-,20+,21-,22+/m0/s1.
What are the key properties of (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol?
(6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol has a molecular weight of 346.49 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8S,10R,13S,14S,16S,17R)-6-fluoro-17-(2-hydroxyethyl)-10,13,16-trimethyl-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ol is sourced from PubChem (CID 70348012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).