(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C14H6BrClF4O — CID 107288265

IUPAC(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H6BrClF4O/c15-10-5-7(2-4-11(10)16)13(21)8-1-3-9(12(17)6-8)14(18,19)20/h1-6H
InChIKeyXDNQJRFUYFYFAS-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.49
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107288265) has the molecular formula C14H6BrClF4O and a molecular weight of 381.55 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107288265
Molecular FormulaC14H6BrClF4O
Molecular Weight381.55 g/mol
Exact Mass379.92
IUPAC Name(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H6BrClF4O/c15-10-5-7(2-4-11(10)16)13(21)8-1-3-9(12(17)6-8)14(18,19)20/h1-6H
InChIKeyXDNQJRFUYFYFAS-UHFFFAOYSA-N
XLogP5.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117
(2-chloro-4-pyridinyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288234
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291120
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
CID 107291233

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107288265) is (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is XDNQJRFUYFYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrClF4O/c15-10-5-7(2-4-11(10)16)13(21)8-1-3-9(12(17)6-8)14(18,19)20/h1-6H.
What are the key properties of (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 381.55 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).