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

C24H38F3N — CID 162697073

IUPAC2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
SMILESCC1CCC2C(C1)C1C3CCCCC3CC1N2CC1CCCCC1C(F)(F)F
InChIInChI=1S/C24H38F3N/c1-15-10-11-21-19(12-15)23-18-8-4-2-6-16(18)13-22(23)28(21)14-17-7-3-5-9-20(17)24(25,26)27/h15-23H,2-14H2,1H3
InChIKeyLZYFCADTGRYBDK-UHFFFAOYSA-N
MW397.57 g/mol
LogP6.67
Rot. Bonds2

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

2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole (PubChem CID 162697073) has the molecular formula C24H38F3N and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole.

Molecular Properties

Compound Name2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
PubChem CID162697073
Molecular FormulaC24H38F3N
Molecular Weight397.57 g/mol
Exact Mass397.30
IUPAC Name2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole
SMILESCC1CCC2C(C1)C1C3CCCCC3CC1N2CC1CCCCC1C(F)(F)F
InChIInChI=1S/C24H38F3N/c1-15-10-11-21-19(12-15)23-18-8-4-2-6-16(18)13-22(23)28(21)14-17-7-3-5-9-20(17)24(25,26)27/h15-23H,2-14H2,1H3
InChIKeyLZYFCADTGRYBDK-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 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The IUPAC name of 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole (CID 162697073) is 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole.
What is the SMILES notation for 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The canonical SMILES for 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole is CC1CCC2C(C1)C1C3CCCCC3CC1N2CC1CCCCC1C(F)(F)F.
What is the InChIKey of 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
The InChIKey is LZYFCADTGRYBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F3N/c1-15-10-11-21-19(12-15)23-18-8-4-2-6-16(18)13-22(23)28(21)14-17-7-3-5-9-20(17)24(25,26)27/h15-23H,2-14H2,1H3.
What are the key properties of 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole?
2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-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 2-methyl-5-[[2-(trifluoromethyl)cyclohexyl]methyl]-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indole is sourced from PubChem (CID 162697073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).