1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone

C14H14F3NO — CID 67690251

IUPAC1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
SMILESCCCCc1[nH]c2ccccc2c1C(=O)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-3-7-11-12(13(19)14(15,16)17)9-6-4-5-8-10(9)18-11/h4-6,8,18H,2-3,7H2,1H3
InChIKeyGMEFPLYQCJXBMI-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.26
Rot. Bonds4

About 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone

1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone (PubChem CID 67690251) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
PubChem CID67690251
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
SMILESCCCCc1[nH]c2ccccc2c1C(=O)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-3-7-11-12(13(19)14(15,16)17)9-6-4-5-8-10(9)18-11/h4-6,8,18H,2-3,7H2,1H3
InChIKeyGMEFPLYQCJXBMI-UHFFFAOYSA-N
XLogP4.26
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
CID 10967536
ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1H-indol-3-yl]-4-oxobutanoate
CID 67786587
2-(2-aminoethyl)-1H-indole-3-carboxylic acid
CID 105456001
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
1-(2-methyl-1H-indol-3-yl)pentan-1-one
CID 4682217
1-[2-(benzenesulfonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 175709241
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
benzyl 2-(4-ethoxy-4-oxobutyl)-1H-indole-3-carboxylate
CID 67787148
2-(2-pentyl-1H-indol-3-yl)ethyl acetate
CID 11054855
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
2-(sulfanylmethyl)-1H-indole-3-carboxylic acid
CID 158535283

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone (CID 67690251) is 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone is CCCCc1[nH]c2ccccc2c1C(=O)C(F)(F)F.
What is the InChIKey of 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is GMEFPLYQCJXBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-3-7-11-12(13(19)14(15,16)17)9-6-4-5-8-10(9)18-11/h4-6,8,18H,2-3,7H2,1H3.
What are the key properties of 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone?
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 269.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 67690251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).