(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol

C19H26FNO2 — CID 69400589

IUPAC(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C=C(O)C(O)=C[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2N
InChIInChI=1S/C19H26FNO2/c1-18-6-5-12-11(13(18)8-14(20)17(18)21)4-3-10-7-15(22)16(23)9-19(10,12)2/h3,7,9,11-14,17,22-23H,4-6,8,21H2,1-2H3/t11-,12+,13+,14-,17+,18+,19+/m1/s1
InChIKeyLWMZKKDZLLVDAA-BNSDSJKXSA-N
MW319.42 g/mol
LogP3.94
Rot. Bonds

About (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol

(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol (PubChem CID 69400589) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol.

Molecular Properties

Compound Name(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol
PubChem CID69400589
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4C=C(O)C(O)=C[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2N
InChIInChI=1S/C19H26FNO2/c1-18-6-5-12-11(13(18)8-14(20)17(18)21)4-3-10-7-15(22)16(23)9-19(10,12)2/h3,7,9,11-14,17,22-23H,4-6,8,21H2,1-2H3/t11-,12+,13+,14-,17+,18+,19+/m1/s1
InChIKeyLWMZKKDZLLVDAA-BNSDSJKXSA-N
XLogP3.94
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol 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,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol?
The IUPAC name of (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol (CID 69400589) is (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol.
What is the SMILES notation for (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol?
The canonical SMILES for (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol is C[C@]12CC[C@H]3[C@@H](CC=C4C=C(O)C(O)=C[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2N.
What is the InChIKey of (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol?
The InChIKey is LWMZKKDZLLVDAA-BNSDSJKXSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-18-6-5-12-11(13(18)8-14(20)17(18)21)4-3-10-7-15(22)16(23)9-19(10,12)2/h3,7,9,11-14,17,22-23H,4-6,8,21H2,1-2H3/t11-,12+,13+,14-,17+,18+,19+/m1/s1.
What are the key properties of (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol?
(8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol has a molecular weight of 319.42 g/mol, XLogP of 3.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-2,3-diol is sourced from PubChem (CID 69400589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).