(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

C19H29FO2 — CID 10357941

IUPAC(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
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O
InChIInChI=1S/C19H29FO2/c1-18-8-3-4-16(21)13(18)6-5-11-12(18)7-9-19(2)14(11)10-15(20)17(19)22/h6,11-12,14-17,21-22H,3-5,7-10H2,1-2H3/t11-,12+,14+,15-,16-,17+,18-,19+/m1/s1
InChIKeyWQJANYHMTFEWCG-VMQYEKQCSA-N
MW308.44 g/mol
LogP3.62
Rot. Bonds

About (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

(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 (PubChem CID 10357941) has the molecular formula C19H29FO2 and a molecular weight of 308.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10357941
Molecular FormulaC19H29FO2
Molecular Weight308.44 g/mol
Exact Mass308.22
IUPAC Name(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
SMILESC[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O
InChIInChI=1S/C19H29FO2/c1-18-8-3-4-16(21)13(18)6-5-11-12(18)7-9-19(2)14(11)10-15(20)17(19)22/h6,11-12,14-17,21-22H,3-5,7-10H2,1-2H3/t11-,12+,14+,15-,16-,17+,18-,19+/m1/s1
InChIKeyWQJANYHMTFEWCG-VMQYEKQCSA-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 (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@]12CC[C@H]3[C@@H](CC=C4[C@H](O)CCC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O.
What is the InChIKey of (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?
The InChIKey is WQJANYHMTFEWCG-VMQYEKQCSA-N. The full InChI is InChI=1S/C19H29FO2/c1-18-8-3-4-16(21)13(18)6-5-11-12(18)7-9-19(2)14(11)10-15(20)17(19)22/h6,11-12,14-17,21-22H,3-5,7-10H2,1-2H3/t11-,12+,14+,15-,16-,17+,18-,19+/m1/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 10357941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).