(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

C20H24FNO2 — CID 22859488

IUPAC(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESC=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=C(F)C(=O)C(N)=C12
InChIInChI=1S/C20H24FNO2/c1-10-8-11-12-4-5-15(23)19(12,2)7-6-13(11)20(3)9-14(21)18(24)17(22)16(10)20/h9,11-13H,1,4-8,22H2,2-3H3/t11-,12-,13-,19-,20+/m0/s1
InChIKeyNRGFLUNKCOUGIJ-LYCWCRCVSA-N
MW329.42 g/mol
LogP3.61
Rot. Bonds

About (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 22859488) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID22859488
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESC=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=C(F)C(=O)C(N)=C12
InChIInChI=1S/C20H24FNO2/c1-10-8-11-12-4-5-15(23)19(12,2)7-6-13(11)20(3)9-14(21)18(24)17(22)16(10)20/h9,11-13H,1,4-8,22H2,2-3H3/t11-,12-,13-,19-,20+/m0/s1
InChIKeyNRGFLUNKCOUGIJ-LYCWCRCVSA-N
XLogP3.61
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

Analyze (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione 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 (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione (CID 22859488) is (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione is C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=C(F)C(=O)C(N)=C12.
What is the InChIKey of (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is NRGFLUNKCOUGIJ-LYCWCRCVSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-10-8-11-12-4-5-15(23)19(12,2)7-6-13(11)20(3)9-14(21)18(24)17(22)16(10)20/h9,11-13H,1,4-8,22H2,2-3H3/t11-,12-,13-,19-,20+/m0/s1.
What are the key properties of (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione?
(8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 329.42 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13S,14S)-4-amino-2-fluoro-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 22859488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).