1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone

C15H10ClF3O — CID 146009822

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O/c16-13-9-11(15(17,18)19)6-7-12(13)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyUOFGBUXHZINZQP-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.78
Rot. Bonds3

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone

1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone (PubChem CID 146009822) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
PubChem CID146009822
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10ClF3O/c16-13-9-11(15(17,18)19)6-7-12(13)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyUOFGBUXHZINZQP-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
1-[2-amino-5-(trifluoromethyl)phenyl]-2-phenylethanone
CID 112556286
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
2-[2-[4-(trifluoromethyl)phenyl]acetyl]benzoic acid
CID 159416871
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-phenylethanone
CID 106971887
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
1-(2-chloro-4-fluoro-5-methylphenyl)-2-phenylethanone
CID 81045969
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
1-(2-iodophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966369
2-(3-bromophenyl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102752332

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone (CID 146009822) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone?
The InChIKey is UOFGBUXHZINZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c16-13-9-11(15(17,18)19)6-7-12(13)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone?
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone has a molecular weight of 298.69 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 146009822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).