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

C19H26FNO2 — CID 66708095

IUPAC(8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol
SMILESC[C@]12C=CC(O)=CC1=CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)C(F)C[C@@H]12
InChIInChI=1S/C19H26FNO2/c1-18-5-3-11(22)7-10(18)8-15(23)16-12(18)4-6-19(2)13(16)9-14(20)17(19)21/h3,5,7-8,12-17,22-23H,4,6,9,21H2,1-2H3/t12-,13+,14?,15?,16-,17?,18+,19+/m1/s1
InChIKeyYUODPJNLJJQEGQ-RQYDXZPPSA-N
MW319.42 g/mol
LogP3.02
Rot. Bonds

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

(8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol (PubChem CID 66708095) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol.

Molecular Properties

Compound Name(8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol
PubChem CID66708095
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name(8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol
SMILESC[C@]12C=CC(O)=CC1=CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)C(F)C[C@@H]12
InChIInChI=1S/C19H26FNO2/c1-18-5-3-11(22)7-10(18)8-15(23)16-12(18)4-6-19(2)13(16)9-14(20)17(19)21/h3,5,7-8,12-17,22-23H,4,6,9,21H2,1-2H3/t12-,13+,14?,15?,16-,17?,18+,19+/m1/s1
InChIKeyYUODPJNLJJQEGQ-RQYDXZPPSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol?
The IUPAC name of (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol (CID 66708095) is (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol.
What is the SMILES notation for (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol?
The canonical SMILES for (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol is C[C@]12C=CC(O)=CC1=CC(O)[C@@H]1[C@H]2CC[C@]2(C)C(N)C(F)C[C@@H]12.
What is the InChIKey of (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol?
The InChIKey is YUODPJNLJJQEGQ-RQYDXZPPSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-18-5-3-11(22)7-10(18)8-15(23)16-12(18)4-6-19(2)13(16)9-14(20)17(19)21/h3,5,7-8,12-17,22-23H,4,6,9,21H2,1-2H3/t12-,13+,14?,15?,16-,17?,18+,19+/m1/s1.
What are the key properties of (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol?
(8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol has a molecular weight of 319.42 g/mol, XLogP of 3.02, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10R,13S,14S)-17-amino-16-fluoro-10,13-dimethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthrene-3,7-diol is sourced from PubChem (CID 66708095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).