1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone

C9H9F2NO2 — CID 170996184

IUPAC1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N)c(C(F)F)c1O
InChIInChI=1S/C9H9F2NO2/c1-4(13)5-2-3-6(12)7(8(5)14)9(10)11/h2-3,9,14H,12H2,1H3
InChIKeyOFVLHGRWRJVYNZ-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.11
Rot. Bonds2

About 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone

1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone (PubChem CID 170996184) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
PubChem CID170996184
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N)c(C(F)F)c1O
InChIInChI=1S/C9H9F2NO2/c1-4(13)5-2-3-6(12)7(8(5)14)9(10)11/h2-3,9,14H,12H2,1H3
InChIKeyOFVLHGRWRJVYNZ-UHFFFAOYSA-N
XLogP2.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone (CID 170996184) is 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N)c(C(F)F)c1O.
What is the InChIKey of 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone?
The InChIKey is OFVLHGRWRJVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-4(13)5-2-3-6(12)7(8(5)14)9(10)11/h2-3,9,14H,12H2,1H3.
What are the key properties of 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone?
1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone has a molecular weight of 201.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(difluoromethyl)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 170996184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).