8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

C24H38F3N — CID 162697071

IUPAC8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2CC1CCCCC1C(F)(F)F
InChIInChI=1S/C24H38F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h15-23H,2-14H2,1H3
InChIKeyOBDAXKFEGNSIES-UHFFFAOYSA-N
MW397.57 g/mol
LogP6.67
Rot. Bonds2

About 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (PubChem CID 162697071) has the molecular formula C24H38F3N and a molecular weight of 397.57 g/mol. Its IUPAC name is 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.

Molecular Properties

Compound Name8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
PubChem CID162697071
Molecular FormulaC24H38F3N
Molecular Weight397.57 g/mol
Exact Mass397.30
IUPAC Name8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2CC1CCCCC1C(F)(F)F
InChIInChI=1S/C24H38F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h15-23H,2-14H2,1H3
InChIKeyOBDAXKFEGNSIES-UHFFFAOYSA-N
XLogP6.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole 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 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The IUPAC name of 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (CID 162697071) is 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.
What is the SMILES notation for 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The canonical SMILES for 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is CC1CCC2C(C1)C1CC3CCCCC3C1N2CC1CCCCC1C(F)(F)F.
What is the InChIKey of 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The InChIKey is OBDAXKFEGNSIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F3N/c1-15-10-11-22-19(12-15)20-13-16-6-2-4-8-18(16)23(20)28(22)14-17-7-3-5-9-21(17)24(25,26)27/h15-23H,2-14H2,1H3.
What are the key properties of 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole has a molecular weight of 397.57 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is sourced from PubChem (CID 162697071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).