(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C14H6BrF5O — CID 107288345

IUPAC(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H6BrF5O/c15-8-2-3-9(12(17)6-8)13(21)7-1-4-11(16)10(5-7)14(18,19)20/h1-6H
InChIKeyGJQROFVSMXFWKF-UHFFFAOYSA-N
MW365.10 g/mol
LogP4.98
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 107288345) has the molecular formula C14H6BrF5O and a molecular weight of 365.10 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID107288345
Molecular FormulaC14H6BrF5O
Molecular Weight365.10 g/mol
Exact Mass363.95
IUPAC Name(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1F
InChIInChI=1S/C14H6BrF5O/c15-8-2-3-9(12(17)6-8)13(21)7-1-4-11(16)10(5-7)14(18,19)20/h1-6H
InChIKeyGJQROFVSMXFWKF-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.10
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291262
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
[4-bromo-2-(trifluoromethyl)phenyl]-(3,4-dichlorophenyl)methanone
CID 63409381
2-bromo-1-(4-bromo-2-fluorophenyl)-2,2-difluoroethanone
CID 130137043
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 107288345) is (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(F)c(C(F)(F)F)c1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is GJQROFVSMXFWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrF5O/c15-8-2-3-9(12(17)6-8)13(21)7-1-4-11(16)10(5-7)14(18,19)20/h1-6H.
What are the key properties of (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.10 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107288345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).