2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone

C17H9BrClF4NO — CID 175911015

IUPAC2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone
SMILESO=C(C(Br)c1ccc(Cl)cc1)n1ccc2cc(F)c(C(F)(F)F)cc21
InChIInChI=1S/C17H9BrClF4NO/c18-15(9-1-3-11(19)4-2-9)16(25)24-6-5-10-7-13(20)12(8-14(10)24)17(21,22)23/h1-8,15H
InChIKeyZWDXRGAMIMVWFK-UHFFFAOYSA-N
MW434.61 g/mol
LogP6.23
Rot. Bonds2

About 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone

2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone (PubChem CID 175911015) has the molecular formula C17H9BrClF4NO and a molecular weight of 434.61 g/mol. Its IUPAC name is 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone.

Molecular Properties

Compound Name2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone
PubChem CID175911015
Molecular FormulaC17H9BrClF4NO
Molecular Weight434.61 g/mol
Exact Mass432.95
IUPAC Name2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone
SMILESO=C(C(Br)c1ccc(Cl)cc1)n1ccc2cc(F)c(C(F)(F)F)cc21
InChIInChI=1S/C17H9BrClF4NO/c18-15(9-1-3-11(19)4-2-9)16(25)24-6-5-10-7-13(20)12(8-14(10)24)17(21,22)23/h1-8,15H
InChIKeyZWDXRGAMIMVWFK-UHFFFAOYSA-N
XLogP6.23
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 131964335
(3S)-3-[3-[[(1S)-1-(4-chlorophenyl)-2-[5-methoxy-6-(trifluoromethyl)indol-1-yl]-2-oxoethyl]amino]-5-methoxyphenoxy]cyclobutene-1-carboxylic acid
CID 175908834
2-bromo-2-(4-chlorophenyl)-1-[6-(trifluoromethyl)spiro[2H-indole-3,1'-cyclopropane]-1-yl]ethanone
CID 172625768
tert-butyl N-[(2S)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]propan-2-yl]carbamate
CID 54047981
(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 107288719
(S)-(4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 170898786
2-(4-chlorophenyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 21388403
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
2-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 107289983
4-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]butanoic acid
CID 103440305
(E)-3-[1-[bis(4-chlorophenyl)methyl]indol-5-yl]but-2-enoic acid
CID 10433143
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone?
The IUPAC name of 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone (CID 175911015) is 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone.
What is the SMILES notation for 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone?
The canonical SMILES for 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone is O=C(C(Br)c1ccc(Cl)cc1)n1ccc2cc(F)c(C(F)(F)F)cc21.
What is the InChIKey of 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone?
The InChIKey is ZWDXRGAMIMVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrClF4NO/c18-15(9-1-3-11(19)4-2-9)16(25)24-6-5-10-7-13(20)12(8-14(10)24)17(21,22)23/h1-8,15H.
What are the key properties of 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone?
2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone has a molecular weight of 434.61 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-chlorophenyl)-1-[5-fluoro-6-(trifluoromethyl)indol-1-yl]ethanone is sourced from PubChem (CID 175911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).