1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole

C20H18F3N — CID 174559185

IUPAC1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2ccc3c(ccn3C3CCCC3)c2)cc1
InChIInChI=1S/C20H18F3N/c21-20(22,23)17-8-5-14(6-9-17)15-7-10-19-16(13-15)11-12-24(19)18-3-1-2-4-18/h5-13,18H,1-4H2
InChIKeyNQNNUVGAMJZCAH-UHFFFAOYSA-N
MW329.37 g/mol
LogP6.44
Rot. Bonds2

About 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole

1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole (PubChem CID 174559185) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole
PubChem CID174559185
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole
SMILESFC(F)(F)c1ccc(-c2ccc3c(ccn3C3CCCC3)c2)cc1
InChIInChI=1S/C20H18F3N/c21-20(22,23)17-8-5-14(6-9-17)15-7-10-19-16(13-15)11-12-24(19)18-3-1-2-4-18/h5-13,18H,1-4H2
InChIKeyNQNNUVGAMJZCAH-UHFFFAOYSA-N
XLogP6.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-piperidin-4-yl-5-(trifluoromethyl)indole
CID 69272236
1-cyclobutylindole-5-carboxylic acid
CID 115115226
1-(3-cyclopentylpropyl)-5-[3-(trifluoromethyl)phenyl]indole
CID 174559191
1-(1-cyclopentylindol-5-yl)ethanone
CID 115115492
2-cyclopentyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 70983436
(8R)-9-cyclopentyl-5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.4.1.02,7]trideca-2(7),3,5-triene
CID 146498041
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-(2-chloroethyl)-1-cyclopentyl-5-(trifluoromethyl)benzimidazole
CID 115502183
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
1-cyclopropyl-5-[6-(triazet-4-yl)pyrimidin-4-yl]indole
CID 123945024
3-[[4-[4-cyclohexyl-1-[5-[4-(trifluoromethyl)phenyl]indol-1-yl]butyl]benzoyl]amino]propanoic acid
CID 134318809

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole (CID 174559185) is 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole is FC(F)(F)c1ccc(-c2ccc3c(ccn3C3CCCC3)c2)cc1.
What is the InChIKey of 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole?
The InChIKey is NQNNUVGAMJZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N/c21-20(22,23)17-8-5-14(6-9-17)15-7-10-19-16(13-15)11-12-24(19)18-3-1-2-4-18/h5-13,18H,1-4H2.
What are the key properties of 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole?
1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole has a molecular weight of 329.37 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 174559185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).