(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

C18H21FO2 — CID 10924200

IUPAC(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43F)[C@@H]1CCC2=O
InChIInChI=1S/C18H21FO2/c1-17-8-7-15-13(14(17)4-5-16(17)21)3-2-11-10-12(20)6-9-18(11,15)19/h6,9-10,13-15H,2-5,7-8H2,1H3/t13-,14-,15-,17-,18+/m0/s1
InChIKeyOMTJIOYRKGFHRZ-FTAMUGHTSA-N
MW288.36 g/mol
LogP3.57
Rot. Bonds

About (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione

(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (PubChem CID 10924200) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
PubChem CID10924200
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SMILESC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43F)[C@@H]1CCC2=O
InChIInChI=1S/C18H21FO2/c1-17-8-7-15-13(14(17)4-5-16(17)21)3-2-11-10-12(20)6-9-18(11,15)19/h6,9-10,13-15H,2-5,7-8H2,1H3/t13-,14-,15-,17-,18+/m0/s1
InChIKeyOMTJIOYRKGFHRZ-FTAMUGHTSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione (CID 10924200) is (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione is C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43F)[C@@H]1CCC2=O.
What is the InChIKey of (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is OMTJIOYRKGFHRZ-FTAMUGHTSA-N. The full InChI is InChI=1S/C18H21FO2/c1-17-8-7-15-13(14(17)4-5-16(17)21)3-2-11-10-12(20)6-9-18(11,15)19/h6,9-10,13-15H,2-5,7-8H2,1H3/t13-,14-,15-,17-,18+/m0/s1.
What are the key properties of (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione?
(8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 288.36 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10S,13S,14S)-10-fluoro-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 10924200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).