(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol

C19H29FO2 — CID 67024829

IUPAC(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
SMILESC[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CCCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O
InChIInChI=1S/C19H29FO2/c1-18-7-4-3-5-11(18)9-15(21)16-12(18)6-8-19(2)13(16)10-14(20)17(19)22/h5,12-17,21-22H,3-4,6-10H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKeyOFLGRMHJEPXSOG-YPQZYRTGSA-N
MW308.44 g/mol
LogP3.62
Rot. Bonds

About (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol

(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol (PubChem CID 67024829) has the molecular formula C19H29FO2 and a molecular weight of 308.44 g/mol. Its IUPAC name is (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol.

Molecular Properties

Compound Name(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
PubChem CID67024829
Molecular FormulaC19H29FO2
Molecular Weight308.44 g/mol
Exact Mass308.22
IUPAC Name(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
SMILESC[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CCCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O
InChIInChI=1S/C19H29FO2/c1-18-7-4-3-5-11(18)9-15(21)16-12(18)6-8-19(2)13(16)10-14(20)17(19)22/h5,12-17,21-22H,3-4,6-10H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19-/m0/s1
InChIKeyOFLGRMHJEPXSOG-YPQZYRTGSA-N
XLogP3.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol with MolForge

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Related Compounds

(7S,8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 172841374
(7S,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
CID 10125620
(8R,9S,10S,13S,14S,16R,17S)-16-fluoro-10-(hydroxymethyl)-13-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 67024658
(8S,9S,10R,11R,13S,14S,16R,17S)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-diol
CID 67024757
(8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
CID 25112725
(8R,9S,10R,13S,14S,16R,17S)-16-fluoro-13-(hydroxymethyl)-10-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 67024797
(4R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4,17-diol
CID 10357941
(8S,9R,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 124911550
(7R,8R,9S,10R,13S,14S)-7,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 155521581
(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
CID 152652399
(3R,8R,9S,10R,13S,14S,16R,17R)-17-amino-16-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 67024746
(8R,9R,10R,13S,14S)-16-fluoro-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 67024803

Frequently Asked Questions

What is the IUPAC name of (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol?
The IUPAC name of (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol (CID 67024829) is (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol.
What is the SMILES notation for (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol?
The canonical SMILES for (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol is C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CCCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O.
What is the InChIKey of (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol?
The InChIKey is OFLGRMHJEPXSOG-YPQZYRTGSA-N. The full InChI is InChI=1S/C19H29FO2/c1-18-7-4-3-5-11(18)9-15(21)16-12(18)6-8-19(2)13(16)10-14(20)17(19)22/h5,12-17,21-22H,3-4,6-10H2,1-2H3/t12-,13-,14+,15+,16+,17-,18-,19-/m0/s1.
What are the key properties of (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol?
(7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol has a molecular weight of 308.44 g/mol, XLogP of 3.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R,9S,10R,13S,14S,16R,17R)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-diol is sourced from PubChem (CID 67024829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).