1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone

C11H13F2NO — CID 84679595

IUPAC1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(F)F)ccc1C
InChIInChI=1S/C11H13F2NO/c1-7-3-4-8(11(12)13)5-9(7)10(15)6-14-2/h3-5,11,14H,6H2,1-2H3
InChIKeyYOYNHXNADUHVFZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.33
Rot. Bonds4

About 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone

1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone (PubChem CID 84679595) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
PubChem CID84679595
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C(F)F)ccc1C
InChIInChI=1S/C11H13F2NO/c1-7-3-4-8(11(12)13)5-9(7)10(15)6-14-2/h3-5,11,14H,6H2,1-2H3
InChIKeyYOYNHXNADUHVFZ-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(difluoromethyl)-2-methoxyphenyl]-2-(methylamino)ethanone
CID 117330012
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]-2-(methylamino)ethanone
CID 84688474
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117313439
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(4-tert-butyl-2-methylphenyl)-2-(methylamino)ethanone
CID 82493915
1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]-2-(methylamino)ethanone
CID 84701165
1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643
2-[3-(3-bromopropanoyl)-4-methylphenyl]-2-hydroxyacetic acid
CID 135741178
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232
1-(4-bromo-5-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84805710
1-(3-bromo-2-hydroxy-4-methylphenyl)-2-(methylamino)ethanone
CID 84709294

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone (CID 84679595) is 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone is CNCC(=O)c1cc(C(F)F)ccc1C.
What is the InChIKey of 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone?
The InChIKey is YOYNHXNADUHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-3-4-8(11(12)13)5-9(7)10(15)6-14-2/h3-5,11,14H,6H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone?
1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone has a molecular weight of 213.23 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-methylphenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 84679595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).