1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone

C10H11F2NO — CID 170996729

IUPAC1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1c(C(F)F)ccc(N)c1C
InChIInChI=1S/C10H11F2NO/c1-5-8(13)4-3-7(10(11)12)9(5)6(2)14/h3-4,10H,13H2,1-2H3
InChIKeyUAURQJQPSSRQEF-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.72
Rot. Bonds2

About 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone

1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone (PubChem CID 170996729) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
PubChem CID170996729
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
SMILESCC(=O)c1c(C(F)F)ccc(N)c1C
InChIInChI=1S/C10H11F2NO/c1-5-8(13)4-3-7(10(11)12)9(5)6(2)14/h3-4,10H,13H2,1-2H3
InChIKeyUAURQJQPSSRQEF-UHFFFAOYSA-N
XLogP2.72
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[6-amino-2-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171026052
1-[4-amino-2-(difluoromethyl)-3-methylphenyl]ethanone
CID 170996734
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 131379036
2-acetyl-4-amino-3-methylbenzonitrile
CID 171013379
1-[3-bromo-6-(difluoromethyl)-2-fluorophenyl]ethanone
CID 131278161
1-[3-amino-6-bromo-2-(difluoromethyl)phenyl]ethanone
CID 171026881
1-[2-amino-3-(difluoromethyl)-6-nitrophenyl]ethanone
CID 170996761
1-[2-amino-4-(difluoromethyl)-5-methylphenyl]ethanone
CID 170996744
1-[5-amino-2-(difluoromethyl)-4-methylphenyl]ethanone
CID 170996780
1-[3-(difluoromethyl)-2-methylphenyl]ethanone
CID 138750714
1-[2-amino-3-bromo-4-(difluoromethyl)phenyl]ethanone
CID 171026864
1-[2-(difluoromethyl)-4-hydroxy-6-methylphenyl]ethanone
CID 131329925

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone?
The IUPAC name of 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone (CID 170996729) is 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone is CC(=O)c1c(C(F)F)ccc(N)c1C.
What is the InChIKey of 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone?
The InChIKey is UAURQJQPSSRQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-5-8(13)4-3-7(10(11)12)9(5)6(2)14/h3-4,10H,13H2,1-2H3.
What are the key properties of 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone?
1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone has a molecular weight of 199.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone is sourced from PubChem (CID 170996729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).