(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone

C16H9F4NO — CID 131870896

IUPAC(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H9F4NO/c17-10-7-5-9(6-8-10)14(22)13-11-3-1-2-4-12(11)21-15(13)16(18,19)20/h1-8,21H
InChIKeyGVMPWDXMUQFRAB-UHFFFAOYSA-N
MW307.25 g/mol
LogP4.56
Rot. Bonds2

About (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone

(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone (PubChem CID 131870896) has the molecular formula C16H9F4NO and a molecular weight of 307.25 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
PubChem CID131870896
Molecular FormulaC16H9F4NO
Molecular Weight307.25 g/mol
Exact Mass307.06
IUPAC Name(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C16H9F4NO/c17-10-7-5-9(6-8-10)14(22)13-11-3-1-2-4-12(11)21-15(13)16(18,19)20/h1-8,21H
InChIKeyGVMPWDXMUQFRAB-UHFFFAOYSA-N
XLogP4.56
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 84703215
(2-fluoro-1H-indol-3-yl)-phenylmethanone
CID 175455866
1-[2-(trifluoromethyl)-1H-indol-3-yl]pentan-1-one
CID 10967536
(4-fluorophenyl)-phenylmethanone
CID 161464622
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
[4,5-dimethyl-2-(trifluoromethyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 51066147
6-O-ethyl 3-O-methyl 2-(trifluoromethyl)-1H-indole-3,6-dicarboxylate
CID 141445399
3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)-2-(trifluoromethyl)propan-1-one
CID 103309361
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
4-oxo-2-(trifluoromethyl)-1H-quinoline-3-carbaldehyde
CID 88950390
1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786469

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone (CID 131870896) is (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone is O=C(c1ccc(F)cc1)c1c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
The InChIKey is GVMPWDXMUQFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4NO/c17-10-7-5-9(6-8-10)14(22)13-11-3-1-2-4-12(11)21-15(13)16(18,19)20/h1-8,21H.
What are the key properties of (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone?
(4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone has a molecular weight of 307.25 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(trifluoromethyl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 131870896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).