(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone

C15H10BrF3O — CID 114970207

IUPAC(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1Br
InChIInChI=1S/C15H10BrF3O/c1-9-7-11(5-6-13(9)16)14(20)10-3-2-4-12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyFSRIDGFBDOFSON-UHFFFAOYSA-N
MW343.14 g/mol
LogP5.01
Rot. Bonds2

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

(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 114970207) has the molecular formula C15H10BrF3O and a molecular weight of 343.14 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID114970207
Molecular FormulaC15H10BrF3O
Molecular Weight343.14 g/mol
Exact Mass341.99
IUPAC Name(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1Br
InChIInChI=1S/C15H10BrF3O/c1-9-7-11(5-6-13(9)16)14(20)10-3-2-4-12(8-10)15(17,18)19/h2-8H,1H3
InChIKeyFSRIDGFBDOFSON-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.14
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
(E)-1-(4-bromo-3-methylphenyl)-4,4,4-trifluoro-3-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 87515366
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
(3-bromo-2,6-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 106941639
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
(4,5-dibromothiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 80532521
(5-fluoro-2-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 62790265
(4-bromothiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 79595938
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone (CID 114970207) is (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)c2cccc(C(F)(F)F)c2)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is FSRIDGFBDOFSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O/c1-9-7-11(5-6-13(9)16)14(20)10-3-2-4-12(8-10)15(17,18)19/h2-8H,1H3.
What are the key properties of (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone?
(4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 343.14 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114970207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).