(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol

C19H27FO3 — CID 66708597

IUPAC(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol
SMILESC[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2C(O)C[C@]2(C)C(O)C(F)C[C@@H]12
InChIInChI=1S/C19H27FO3/c1-18-6-5-11(21)7-10(18)3-4-12-13-8-14(20)17(23)19(13,2)9-15(22)16(12)18/h5-7,10,12-17,21-23H,3-4,8-9H2,1-2H3/t10?,12-,13-,14?,15?,16-,17?,18-,19-/m0/s1
InChIKeyHAQGQIQIAWKJQF-MHDSPXCYSA-N
MW322.42 g/mol
LogP3.14
Rot. Bonds

About (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol

(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol (PubChem CID 66708597) has the molecular formula C19H27FO3 and a molecular weight of 322.42 g/mol. Its IUPAC name is (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol.

Molecular Properties

Compound Name(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol
PubChem CID66708597
Molecular FormulaC19H27FO3
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol
SMILESC[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2C(O)C[C@]2(C)C(O)C(F)C[C@@H]12
InChIInChI=1S/C19H27FO3/c1-18-6-5-11(21)7-10(18)3-4-12-13-8-14(20)17(23)19(13,2)9-15(22)16(12)18/h5-7,10,12-17,21-23H,3-4,8-9H2,1-2H3/t10?,12-,13-,14?,15?,16-,17?,18-,19-/m0/s1
InChIKeyHAQGQIQIAWKJQF-MHDSPXCYSA-N
XLogP3.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol?
The IUPAC name of (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol (CID 66708597) is (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol.
What is the SMILES notation for (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol?
The canonical SMILES for (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol is C[C@]12C=CC(O)=CC1CC[C@@H]1[C@H]2C(O)C[C@]2(C)C(O)C(F)C[C@@H]12.
What is the InChIKey of (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol?
The InChIKey is HAQGQIQIAWKJQF-MHDSPXCYSA-N. The full InChI is InChI=1S/C19H27FO3/c1-18-6-5-11(21)7-10(18)3-4-12-13-8-14(20)17(23)19(13,2)9-15(22)16(12)18/h5-7,10,12-17,21-23H,3-4,8-9H2,1-2H3/t10?,12-,13-,14?,15?,16-,17?,18-,19-/m0/s1.
What are the key properties of (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol?
(8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol has a molecular weight of 322.42 g/mol, XLogP of 3.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9R,10S,13S,14S)-16-fluoro-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydro-5H-cyclopenta[a]phenanthrene-3,11,17-triol is sourced from PubChem (CID 66708597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).