1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

C12H14F3NO — CID 60892938

IUPAC1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCc1cccc(C(=O)CN(C)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-9-4-3-5-10(6-9)11(17)7-16(2)8-12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyZMJDYELCJWTERG-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone

1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 60892938) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID60892938
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCc1cccc(C(=O)CN(C)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-9-4-3-5-10(6-9)11(17)7-16(2)8-12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyZMJDYELCJWTERG-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
CID 62051984
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632
1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892158
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
CID 55010786
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 55096503
2-[dichloro(fluoro)methyl]sulfanyl-1-(3-methylphenyl)ethanone
CID 14144959
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(3-methylphenyl)ethanone
CID 79319620
4,4,5,5,6,6,6-heptafluoro-1-(3-methylphenyl)hexane-1,3-dione
CID 59099384

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone (CID 60892938) is 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is Cc1cccc(C(=O)CN(C)CC(F)(F)F)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is ZMJDYELCJWTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9-4-3-5-10(6-9)11(17)7-16(2)8-12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 245.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 60892938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).