1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone

C9H9F2NO2 — CID 170995809

IUPAC1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(N)cc(C(F)F)cc1O
InChIInChI=1S/C9H9F2NO2/c1-4(13)8-6(12)2-5(9(10)11)3-7(8)14/h2-3,9,14H,12H2,1H3
InChIKeyHVZBWOARGQATSR-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.11
Rot. Bonds2

About 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone

1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone (PubChem CID 170995809) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone
PubChem CID170995809
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone
SMILESCC(=O)c1c(N)cc(C(F)F)cc1O
InChIInChI=1S/C9H9F2NO2/c1-4(13)8-6(12)2-5(9(10)11)3-7(8)14/h2-3,9,14H,12H2,1H3
InChIKeyHVZBWOARGQATSR-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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Related Compounds

2-acetyl-3-amino-5-(difluoromethyl)benzonitrile
CID 170995869
2-acetyl-5-(difluoromethyl)-3-hydroxybenzaldehyde
CID 171032570
1-(2-amino-6-hydroxy-4-iodophenyl)ethanone
CID 131334776
2-acetyl-6-amino-4-(difluoromethyl)benzonitrile
CID 170995908
methyl 2-cyano-4-(difluoromethyl)-6-hydroxybenzoate
CID 131334669
2-acetyl-4-(difluoromethyl)-6-hydroxybenzaldehyde
CID 171032574
1-[2-chloro-4-(difluoromethyl)-6-methylphenyl]ethanone
CID 171005887
1-[3-amino-6-bromo-2-(difluoromethyl)phenyl]ethanone
CID 171026881
1-[3-bromo-5-(difluoromethyl)-2-hydroxyphenyl]ethanone
CID 131573369
1-[3-amino-6-(difluoromethyl)-2-methylphenyl]ethanone
CID 170996729
3-bromo-5-(difluoromethyl)benzene-1,2-diol
CID 84700981
1-[6-amino-2-(difluoromethoxy)-3-(difluoromethyl)phenyl]ethanone
CID 171026052

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone (CID 170995809) is 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone is CC(=O)c1c(N)cc(C(F)F)cc1O.
What is the InChIKey of 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone?
The InChIKey is HVZBWOARGQATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-4(13)8-6(12)2-5(9(10)11)3-7(8)14/h2-3,9,14H,12H2,1H3.
What are the key properties of 1-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone?
1-[2-amino-4-(difluoromethyl)-6-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-[2-amino-4-(difluoromethyl)-6-hydroxyphenyl]ethanone is sourced from PubChem (CID 170995809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).