1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one

C10H9ClF2O2 — CID 84797165

IUPAC1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
SMILESCOc1cc(F)c(Cl)c(F)c1CC(C)=O
InChIInChI=1S/C10H9ClF2O2/c1-5(14)3-6-8(15-2)4-7(12)9(11)10(6)13/h4H,3H2,1-2H3
InChIKeyIHUXGEQOZMKTGC-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.76
Rot. Bonds3

About 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one

1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one (PubChem CID 84797165) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
PubChem CID84797165
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one
SMILESCOc1cc(F)c(Cl)c(F)c1CC(C)=O
InChIInChI=1S/C10H9ClF2O2/c1-5(14)3-6-8(15-2)4-7(12)9(11)10(6)13/h4H,3H2,1-2H3
InChIKeyIHUXGEQOZMKTGC-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
1-(2-chloro-6-methoxy-4-methylphenyl)propan-2-one
CID 84782491
1-(2-chloro-6-hydroxy-3-methoxyphenyl)propan-2-one
CID 84783610
1-(2,3,5,6-tetrafluorophenyl)propan-2-one
CID 117294401
3-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-methylpropanoic acid
CID 117416056
1-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)propan-2-one
CID 84694021
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
1-(2-chloro-4-fluoro-3-methoxyphenyl)propan-2-one
CID 54232083

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one (CID 84797165) is 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one is COc1cc(F)c(Cl)c(F)c1CC(C)=O.
What is the InChIKey of 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one?
The InChIKey is IHUXGEQOZMKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c1-5(14)3-6-8(15-2)4-7(12)9(11)10(6)13/h4H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one?
1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one has a molecular weight of 234.63 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-2-one is sourced from PubChem (CID 84797165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).