2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone

C15H11F3O — CID 151955540

IUPAC2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
SMILESCc1ccccc1-c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C15H11F3O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14(19)15(16,17)18/h2-9H,1H3
InChIKeyTXNXKKHPCDEOSF-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.41
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone

2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone (PubChem CID 151955540) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
PubChem CID151955540
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone
SMILESCc1ccccc1-c1ccccc1C(=O)C(F)(F)F
InChIInChI=1S/C15H11F3O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14(19)15(16,17)18/h2-9H,1H3
InChIKeyTXNXKKHPCDEOSF-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2,2,2-trifluoro-1-(2-hydroxyphenyl)ethanone
CID 2761164
N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
methyl 2-amino-2-[2-(2-methylphenyl)benzoyl]-4-methylsulfanylbutanoate
CID 67605654
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
5-(2,2-dimethylpropanoyl)-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170395
1-[2-(chloroamino)phenyl]-2,2,2-trifluoroethanone
CID 141298206
bis[3-methyl-2-(trifluoromethyl)phenyl]methanone
CID 139698418
methyl 2-diazo-2-[2-(2-methylphenyl)phenyl]acetate
CID 139254069
N-ethyl-2-methyl-3-(2-methylphenyl)benzamide
CID 162214048
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone (CID 151955540) is 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone is Cc1ccccc1-c1ccccc1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone?
The InChIKey is TXNXKKHPCDEOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c1-10-6-2-3-7-11(10)12-8-4-5-9-13(12)14(19)15(16,17)18/h2-9H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone?
2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone has a molecular weight of 264.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(2-methylphenyl)phenyl]ethanone is sourced from PubChem (CID 151955540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).