2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone

C8H7F2NO2 — CID 117280590

IUPAC2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
SMILESNCC(=O)c1c(F)ccc(F)c1O
InChIInChI=1S/C8H7F2NO2/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,13H,3,11H2
InChIKeyWWGCDFHKXRVRAF-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.81
Rot. Bonds2

About 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone

2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone (PubChem CID 117280590) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
PubChem CID117280590
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
SMILESNCC(=O)c1c(F)ccc(F)c1O
InChIInChI=1S/C8H7F2NO2/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,13H,3,11H2
InChIKeyWWGCDFHKXRVRAF-UHFFFAOYSA-N
XLogP0.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-bromo-3,6-difluorophenyl)ethanone;hydrochloride
CID 122361145
2-chloro-1-(3,6-difluoro-2-hydroxyphenyl)ethanone
CID 131169270
2-amino-1-(2,6-difluorophenyl)ethanone;hydrochloride
CID 44717362
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 122361063
2-amino-1-(2-bromo-6-fluorophenyl)ethanone
CID 84695252
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-amino-1-(5-fluoro-1-benzofuran-4-yl)ethanone
CID 117283381
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
2-amino-1-(2,4,5-trifluoro-3-hydroxyphenyl)ethanone
CID 117115595
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
2-(aminomethyl)-3,6-difluorobenzoic acid
CID 115017213
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone (CID 117280590) is 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone is NCC(=O)c1c(F)ccc(F)c1O.
What is the InChIKey of 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
The InChIKey is WWGCDFHKXRVRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-4-1-2-5(10)8(13)7(4)6(12)3-11/h1-2,13H,3,11H2.
What are the key properties of 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone?
2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone has a molecular weight of 187.15 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,6-difluoro-2-hydroxyphenyl)ethanone is sourced from PubChem (CID 117280590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).