2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one

C9H9ClFNO2 — CID 84683223

IUPAC2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(F)ccc(Cl)c1O
InChIInChI=1S/C9H9ClFNO2/c1-4(12)8(13)7-6(11)3-2-5(10)9(7)14/h2-4,14H,12H2,1H3
InChIKeyBBLXDTGLQQPRKT-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.71
Rot. Bonds2

About 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one

2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one (PubChem CID 84683223) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
PubChem CID84683223
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one
SMILESCC(N)C(=O)c1c(F)ccc(Cl)c1O
InChIInChI=1S/C9H9ClFNO2/c1-4(12)8(13)7-6(11)3-2-5(10)9(7)14/h2-4,14H,12H2,1H3
InChIKeyBBLXDTGLQQPRKT-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
CID 84681361
2-amino-1-(2,3-difluoro-6-hydroxyphenyl)propan-1-one
CID 84669836
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-amino-1-(3-chloro-4,5-difluoro-2-hydroxyphenyl)propan-1-one
CID 84797727
2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
CID 84689622
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
2-amino-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 84776071
methyl (2S)-2-amino-2-(6-chloro-3-fluoro-2-hydroxyphenyl)acetate
CID 131423206
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
2-amino-6-chloro-3-fluorophenol
CID 45120107
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-6-methylphenyl)propan-1-one
CID 84704073
2-[(1R)-1-amino-2,2-difluoroethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171255857

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one (CID 84683223) is 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one is CC(N)C(=O)c1c(F)ccc(Cl)c1O.
What is the InChIKey of 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one?
The InChIKey is BBLXDTGLQQPRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-4(12)8(13)7-6(11)3-2-5(10)9(7)14/h2-4,14H,12H2,1H3.
What are the key properties of 2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one?
2-amino-1-(3-chloro-6-fluoro-2-hydroxyphenyl)propan-1-one has a molecular weight of 217.63 g/mol, XLogP of 1.71, 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-6-fluoro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 84683223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).