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

C10H11ClFNO2 — CID 84695079

IUPAC1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)c(Cl)cc(F)c1O
InChIInChI=1S/C10H11ClFNO2/c1-5-6(11)3-7(12)10(15)9(5)8(14)4-13-2/h3,13,15H,4H2,1-2H3
InChIKeyMDDDDXXVMPTTLB-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.90
Rot. Bonds3

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

1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone (PubChem CID 84695079) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
PubChem CID84695079
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(C)c(Cl)cc(F)c1O
InChIInChI=1S/C10H11ClFNO2/c1-5-6(11)3-7(12)10(15)9(5)8(14)4-13-2/h3,13,15H,4H2,1-2H3
InChIKeyMDDDDXXVMPTTLB-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,3-dihydroxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117331406
2-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-oxoacetic acid
CID 117337074
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanone
CID 84784327
1-(3-fluoro-6-hydroxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84667468
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
1-(2-bromo-4-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 84811946
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
1-(5-bromo-2-chloro-3-fluorophenyl)-2-(methylamino)ethanone
CID 117450498
1-(4-chloro-2,3,5-trifluorophenyl)-2-(methylamino)ethanone
CID 117108354
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone (CID 84695079) is 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1c(C)c(Cl)cc(F)c1O.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is MDDDDXXVMPTTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-5-6(11)3-7(12)10(15)9(5)8(14)4-13-2/h3,13,15H,4H2,1-2H3.
What are the key properties of 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone?
1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 231.65 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-hydroxy-6-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84695079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).