1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

C16H12BrF3O — CID 62829314

IUPAC1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1Br
InChIInChI=1S/C16H12BrF3O/c17-15-7-2-1-5-12(15)10-14(21)9-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2
InChIKeyAQNCEQONHQBXRK-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.82
Rot. Bonds4

About 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one

1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 62829314) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
PubChem CID62829314
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1Br
InChIInChI=1S/C16H12BrF3O/c17-15-7-2-1-5-12(15)10-14(21)9-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2
InChIKeyAQNCEQONHQBXRK-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67184957
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
CID 165042761
methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 24723916
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
1-(prop-2-ynylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116589424
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one (CID 62829314) is 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1cccc(C(F)(F)F)c1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is AQNCEQONHQBXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O/c17-15-7-2-1-5-12(15)10-14(21)9-11-4-3-6-13(8-11)16(18,19)20/h1-8H,9-10H2.
What are the key properties of 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one?
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 357.17 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 62829314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).