1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole

C15H14F3N — CID 163282328

IUPAC1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole
SMILESCC1CN(C)c2ccc3c(C(F)(F)F)cccc3c21
InChIInChI=1S/C15H14F3N/c1-9-8-19(2)13-7-6-10-11(14(9)13)4-3-5-12(10)15(16,17)18/h3-7,9H,8H2,1-2H3
InChIKeyLJAYBBMYLITYKP-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.41
Rot. Bonds

About 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole

1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole (PubChem CID 163282328) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole.

Molecular Properties

Compound Name1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole
PubChem CID163282328
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole
SMILESCC1CN(C)c2ccc3c(C(F)(F)F)cccc3c21
InChIInChI=1S/C15H14F3N/c1-9-8-19(2)13-7-6-10-11(14(9)13)4-3-5-12(10)15(16,17)18/h3-7,9H,8H2,1-2H3
InChIKeyLJAYBBMYLITYKP-UHFFFAOYSA-N
XLogP4.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-butyl-1-methyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole-3-carboximidamide
CID 155408546
4-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174400192
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
6-bromo-1-methyl-3-(2,2,2-trifluoroethyl)-1,2-dihydrobenzo[e]indole
CID 163282318
6-chloro-3-(2-fluoroethyl)-1-methyl-1,2-dihydrobenzo[e]indole
CID 163282324
1,3-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115098429
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
CID 117199339
2,2-dimethyl-3-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propanoic acid
CID 117199357
6-bromo-1-methyl-3-propan-2-yl-1,2-dihydrobenzo[e]indole
CID 163282285
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
CID 163282297
5-(trifluoromethyl)naphthalen-1-ol
CID 90487530
6-ethynyl-1-methyl-1,2-dihydrobenzo[e]indole-3-carboximidamide;2,2,2-trifluoroacetic acid
CID 167661492

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole?
The IUPAC name of 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole (CID 163282328) is 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole.
What is the SMILES notation for 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole?
The canonical SMILES for 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole is CC1CN(C)c2ccc3c(C(F)(F)F)cccc3c21.
What is the InChIKey of 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole?
The InChIKey is LJAYBBMYLITYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-8-19(2)13-7-6-10-11(14(9)13)4-3-5-12(10)15(16,17)18/h3-7,9H,8H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole?
1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole has a molecular weight of 265.28 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(trifluoromethyl)-1,2-dihydrobenzo[e]indole is sourced from PubChem (CID 163282328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).