[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone

C16H13F3O — CID 177401034

IUPAC[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(CC(F)(F)F)c1
InChIInChI=1S/C16H13F3O/c1-11-7-8-14(13(9-11)10-16(17,18)19)15(20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyCHSWAIDDQHTMCD-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.33
Rot. Bonds3

About [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone

[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone (PubChem CID 177401034) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone
PubChem CID177401034
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(CC(F)(F)F)c1
InChIInChI=1S/C16H13F3O/c1-11-7-8-14(13(9-11)10-16(17,18)19)15(20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyCHSWAIDDQHTMCD-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
2-benzoyl-5-methylbenzamide
CID 69123799
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
S-phenyl 2-benzoyl-4-methylbenzenecarbothioate
CID 10544566
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
2-(2,2-dimethylpropyl)-4-methylbenzoic acid
CID 71272383
1-(2-benzoyl-5-methylphenyl)prop-2-en-1-one
CID 141351016
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone
CID 150620542

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone?
The IUPAC name of [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone (CID 177401034) is [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone?
The canonical SMILES for [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)c(CC(F)(F)F)c1.
What is the InChIKey of [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone?
The InChIKey is CHSWAIDDQHTMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-11-7-8-14(13(9-11)10-16(17,18)19)15(20)12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone?
[4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone has a molecular weight of 278.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,2,2-trifluoroethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 177401034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).