2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone

C9H9ClFNO2 — CID 84683210

IUPAC2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCc1c(F)cc(Cl)c(O)c1C(=O)CN
InChIInChI=1S/C9H9ClFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3
InChIKeyFAUGCDCWXCVNPA-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.63
Rot. Bonds2

About 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone

2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone (PubChem CID 84683210) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
PubChem CID84683210
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
SMILESCc1c(F)cc(Cl)c(O)c1C(=O)CN
InChIInChI=1S/C9H9ClFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3
InChIKeyFAUGCDCWXCVNPA-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4-fluoro-7-hydroxy-3-methylindan-1-one
CID 16228043
1-[3-Chloro-2-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 131560488
(3R)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
CID 28819720
(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
CID 28819722
2-Amino-1-(5-chloro-4-fluoro-2-hydroxyphenyl)ethanone
CID 84040314
1-(5-Chloro-4-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 84041551
2-Amino-1-(5-chloro-4-fluoro-2-hydroxyphenyl)propan-1-one
CID 84041552
3-Chloro-5-fluoro-2-hydroxy-6-methylbenzaldehyde
CID 84070331
2-Amino-1-(3-fluoro-6-hydroxy-2-methylphenyl)ethanone
CID 84658900
2-Amino-1-(3-fluoro-2-hydroxy-6-methylphenyl)ethanone
CID 84658902
1-(3-Chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone
CID 84671094
2-Amino-1-(3-chloro-2-fluoro-6-hydroxyphenyl)ethanone
CID 84671891

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone (CID 84683210) is 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone is Cc1c(F)cc(Cl)c(O)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
The InChIKey is FAUGCDCWXCVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-4-6(11)2-5(10)9(14)8(4)7(13)3-12/h2,14H,3,12H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone?
2-amino-1-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone has a molecular weight of 217.63 g/mol, XLogP of 1.63, 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-chloro-5-fluoro-2-hydroxy-6-methylphenyl)ethanone is sourced from PubChem (CID 84683210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).