(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

C14H6Br2F4O — CID 107291262

IUPAC(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H6Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6H
InChIKeyCKGDACRFOHZMOB-UHFFFAOYSA-N
MW426.00 g/mol
LogP5.60
Rot. Bonds2

About (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone

(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107291262) has the molecular formula C14H6Br2F4O and a molecular weight of 426.00 g/mol. Its IUPAC name is (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
PubChem CID107291262
Molecular FormulaC14H6Br2F4O
Molecular Weight426.00 g/mol
Exact Mass423.87
IUPAC Name(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C14H6Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6H
InChIKeyCKGDACRFOHZMOB-UHFFFAOYSA-N
XLogP5.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(5-amino-2-bromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291120
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(2,5-dibromothiophen-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107967908
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(2-chloro-4-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288117
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone (CID 107291262) is (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)c(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CKGDACRFOHZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2F4O/c15-8-2-4-11(16)9(6-8)13(21)7-1-3-10(12(17)5-7)14(18,19)20/h1-6H.
What are the key properties of (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone?
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 426.00 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107291262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).