2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone

C9H10FNO2 — CID 84658900

IUPAC2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone
SMILESCc1c(F)ccc(O)c1C(=O)CN
InChIInChI=1S/C9H10FNO2/c1-5-6(10)2-3-7(12)9(5)8(13)4-11/h2-3,12H,4,11H2,1H3
InChIKeyGVESZQRIBFOMQM-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone

2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone (PubChem CID 84658900) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone
PubChem CID84658900
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone
SMILESCc1c(F)ccc(O)c1C(=O)CN
InChIInChI=1S/C9H10FNO2/c1-5-6(10)2-3-7(12)9(5)8(13)4-11/h2-3,12H,4,11H2,1H3
InChIKeyGVESZQRIBFOMQM-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxy-6-methylphenyl)ethanone
CID 11159401
Ethanone, 2-amino-1-(3-hydroxyphenyl)-
CID 3021590
1-(2-Hydroxy-6-(trifluoromethyl)phenyl)ethan-1-one
CID 70926970
2-(Dimethylamino)-1-(2-hydroxyphenyl)ethanone
CID 546921
2-Amino-1-(2-hydroxyphenyl)ethan-1-one
CID 13290576
3-Hydroxy-2-methylbenzamide
CID 19082098
2-Amino-1-(2-hydroxy-5-methylphenyl)ethan-1-one
CID 82596779
Glycylthymol
CID 84675265
Ethanone, 1-(5-(2-aminoethyl)-2-hydroxyphenyl)-
CID 155965
5-fluoro-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 4868402
3-Amino-1-(2-fluoro-5-hydroxyphenyl)butan-1-one
CID 21014342
2,2,2-Trifluoro-1-(2-hydroxy-6-methylphenyl)ethanone
CID 54331984

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone (CID 84658900) is 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone is Cc1c(F)ccc(O)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone?
The InChIKey is GVESZQRIBFOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-6(10)2-3-7(12)9(5)8(13)4-11/h2-3,12H,4,11H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone?
2-amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone has a molecular weight of 183.18 g/mol, XLogP of 0.98, 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-fluoro-6-hydroxy-2-methylphenyl)ethanone is sourced from PubChem (CID 84658900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).