1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one

C16H12BrF3O — CID 165042761

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3O/c17-15-7-6-12(10-14(15)16(18,19)20)9-13(21)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyOJYWIIPEFZFDGJ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.82
Rot. Bonds4

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one (PubChem CID 165042761) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
PubChem CID165042761
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C16H12BrF3O/c17-15-7-6-12(10-14(15)16(18,19)20)9-13(21)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2
InChIKeyOJYWIIPEFZFDGJ-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-diphenyl(213C)propan-2-one
CID 100945080
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 7920389
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
3-[4-bromo-3-(trifluoromethyl)phenyl]-N,N-dimethylpropanamide
CID 158950212
2-[4-phenyl-3-(trifluoromethyl)phenyl]acetate
CID 152563260
(4-nitrophenyl) 2-[4-bromo-3-(trifluoromethyl)phenyl]acetate
CID 159471385
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
benzyl 5-[4-bromo-3-(trifluoromethyl)phenyl]pent-4-ynoate
CID 168720835

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one (CID 165042761) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one?
The InChIKey is OJYWIIPEFZFDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O/c17-15-7-6-12(10-14(15)16(18,19)20)9-13(21)8-11-4-2-1-3-5-11/h1-7,10H,8-9H2.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one?
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-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-[4-bromo-3-(trifluoromethyl)phenyl]-3-phenylpropan-2-one is sourced from PubChem (CID 165042761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).