3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C15H18F3N — CID 106985958

IUPAC3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCC1CCCC1C1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3N/c1-9-3-2-4-11(9)13-8-19-14-6-5-10(7-12(13)14)15(16,17)18/h5-7,9,11,13,19H,2-4,8H2,1H3
InChIKeyVWGXCJHSLCJINV-UHFFFAOYSA-N
MW269.31 g/mol
LogP4.65
Rot. Bonds1

About 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole

3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 106985958) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID106985958
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCC1CCCC1C1CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C15H18F3N/c1-9-3-2-4-11(9)13-8-19-14-6-5-10(7-12(13)14)15(16,17)18/h5-7,9,11,13,19H,2-4,8H2,1H3
InChIKeyVWGXCJHSLCJINV-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
(3aR,9bR)-8-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 122387866
7-fluoro-3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106985949
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
4-[(3aS,4R,9bR)-8-(trifluoromethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 71766413
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 113324376
5-tert-butyl-3-(2,2-dimethylcyclohexyl)-2,3-dihydro-1H-indole
CID 106986461

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 106985958) is 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is CC1CCCC1C1CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is VWGXCJHSLCJINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N/c1-9-3-2-4-11(9)13-8-19-14-6-5-10(7-12(13)14)15(16,17)18/h5-7,9,11,13,19H,2-4,8H2,1H3.
What are the key properties of 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 269.31 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106985958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).