[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone

C14H6BrCl2F3O — CID 63409381

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H6BrCl2F3O/c15-8-2-3-9(10(6-8)14(18,19)20)13(21)7-1-4-11(16)12(17)5-7/h1-6H
InChIKeyWUKFBHNYZDYUDE-UHFFFAOYSA-N
MW398.01 g/mol
LogP6.01
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone (PubChem CID 63409381) has the molecular formula C14H6BrCl2F3O and a molecular weight of 398.01 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
PubChem CID63409381
Molecular FormulaC14H6BrCl2F3O
Molecular Weight398.01 g/mol
Exact Mass395.89
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H6BrCl2F3O/c15-8-2-3-9(10(6-8)14(18,19)20)13(21)7-1-4-11(16)12(17)5-7/h1-6H
InChIKeyWUKFBHNYZDYUDE-UHFFFAOYSA-N
XLogP6.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.01
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114639788
[4-bromo-2-(trifluoromethyl)phenyl]-(5-chloro-2-hydroxyphenyl)methanone
CID 58962414
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one
CID 79189818
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 63943403

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone (CID 63409381) is [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone?
The InChIKey is WUKFBHNYZDYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrCl2F3O/c15-8-2-3-9(10(6-8)14(18,19)20)13(21)7-1-4-11(16)12(17)5-7/h1-6H.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone has a molecular weight of 398.01 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 63409381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).