2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone

C15H10BrF3O — CID 24723916

IUPAC2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O/c16-13-4-2-1-3-11(13)9-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2
InChIKeyNVRAWMKYYCBNQW-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.89
Rot. Bonds3

About 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 24723916) has the molecular formula C15H10BrF3O and a molecular weight of 343.14 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID24723916
Molecular FormulaC15H10BrF3O
Molecular Weight343.14 g/mol
Exact Mass341.99
IUPAC Name2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O/c16-13-4-2-1-3-11(13)9-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2
InChIKeyNVRAWMKYYCBNQW-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-1-(4-iodophenyl)ethanone
CID 24723892
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
CID 175394574
CID 175394574
1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 86225102
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
2-[bromo(triphenyl)-λ5-phosphanyl]-1-[4-(trifluoromethyl)phenyl]ethanone
CID 142893884
2-[5-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrrol-2-yl]acetic acid
CID 174742182
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
1-[4-(trifluoromethyl)phenyl]-2-(trifluoromethylsulfanyl)ethanone
CID 122399699
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
2-(2-bromophenyl)acetyl bromide
CID 87290551

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 24723916) is 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccccc1Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is NVRAWMKYYCBNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O/c16-13-4-2-1-3-11(13)9-14(20)10-5-7-12(8-6-10)15(17,18)19/h1-8H,9H2.
What are the key properties of 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 343.14 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 24723916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).