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

C10H11F2NO2 — CID 131379036

IUPAC1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1c(N)ccc(OC(F)F)c1C
InChIInChI=1S/C10H11F2NO2/c1-5-8(15-10(11)12)4-3-7(13)9(5)6(2)14/h3-4,10H,13H2,1-2H3
InChIKeyHDTHVCQNCUZTQP-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.38
Rot. Bonds3

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

1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone (PubChem CID 131379036) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
PubChem CID131379036
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone
SMILESCC(=O)c1c(N)ccc(OC(F)F)c1C
InChIInChI=1S/C10H11F2NO2/c1-5-8(15-10(11)12)4-3-7(13)9(5)6(2)14/h3-4,10H,13H2,1-2H3
InChIKeyHDTHVCQNCUZTQP-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-6-(difluoromethoxy)-2-iodophenyl]ethanone
CID 131281136
1-[6-amino-2-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171026052
1-[6-amino-3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171026919
1-[2-chloro-3-(difluoromethoxy)-6-methylphenyl]ethanone
CID 171006385
3-(difluoromethoxy)-6-fluoro-2-methylbenzoic acid
CID 131290839
1-[6-amino-2-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034031
1-[2-amino-6-(difluoromethoxy)-3-(trifluoromethyl)phenyl]ethanone
CID 171034018
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
1-[2-amino-6-(difluoromethoxy)-4-nitrophenyl]ethanone
CID 171034000
1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
CID 170996729
1-[3-amino-2-(difluoromethoxy)-6-(trifluoromethyl)phenyl]ethanone
CID 171034021
1-[3-(difluoromethoxy)-6-fluoro-2-iodophenyl]ethanone
CID 131575535

Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone?
The IUPAC name of 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone (CID 131379036) is 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone.
What is the SMILES notation for 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone?
The canonical SMILES for 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone is CC(=O)c1c(N)ccc(OC(F)F)c1C.
What is the InChIKey of 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone?
The InChIKey is HDTHVCQNCUZTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-5-8(15-10(11)12)4-3-7(13)9(5)6(2)14/h3-4,10H,13H2,1-2H3.
What are the key properties of 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone?
1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone has a molecular weight of 215.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-3-(difluoromethoxy)-2-methylphenyl]ethanone is sourced from PubChem (CID 131379036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).