(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane

C23H40F2 — CID 176554506

IUPAC(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
SMILESCC.CCCC1CC2CC(F)(F)CCC2C2CCC3(C)CCC[C@H]3C12
InChIInChI=1S/C21H34F2.C2H6/c1-3-5-14-12-15-13-21(22,23)11-8-16(15)17-7-10-20(2)9-4-6-18(20)19(14)17;1-2/h14-19H,3-13H2,1-2H3;1-2H3/t14?,15?,16?,17?,18-,19?,20?;/m0./s1
InChIKeyHNXFKKMDQHUBMH-JYENAZAHSA-N
MW354.57 g/mol
LogP7.72
Rot. Bonds2

About (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane

(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane (PubChem CID 176554506) has the molecular formula C23H40F2 and a molecular weight of 354.57 g/mol. Its IUPAC name is (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane.

Molecular Properties

Compound Name(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
PubChem CID176554506
Molecular FormulaC23H40F2
Molecular Weight354.57 g/mol
Exact Mass354.31
IUPAC Name(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
SMILESCC.CCCC1CC2CC(F)(F)CCC2C2CCC3(C)CCC[C@H]3C12
InChIInChI=1S/C21H34F2.C2H6/c1-3-5-14-12-15-13-21(22,23)11-8-16(15)17-7-10-20(2)9-4-6-18(20)19(14)17;1-2/h14-19H,3-13H2,1-2H3;1-2H3/t14?,15?,16?,17?,18-,19?,20?;/m0./s1
InChIKeyHNXFKKMDQHUBMH-JYENAZAHSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane 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 (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The IUPAC name of (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane (CID 176554506) is (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane.
What is the SMILES notation for (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The canonical SMILES for (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane is CC.CCCC1CC2CC(F)(F)CCC2C2CCC3(C)CCC[C@H]3C12.
What is the InChIKey of (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
The InChIKey is HNXFKKMDQHUBMH-JYENAZAHSA-N. The full InChI is InChI=1S/C21H34F2.C2H6/c1-3-5-14-12-15-13-21(22,23)11-8-16(15)17-7-10-20(2)9-4-6-18(20)19(14)17;1-2/h14-19H,3-13H2,1-2H3;1-2H3/t14?,15?,16?,17?,18-,19?,20?;/m0./s1.
What are the key properties of (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane?
(7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane has a molecular weight of 354.57 g/mol, XLogP of 7.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,14S)-3,3-difluoro-13-methyl-7-propyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane is sourced from PubChem (CID 176554506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).