1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one

C11H12F2O2 — CID 84680200

IUPAC1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
SMILESCOc1ccc(C(F)F)cc1CC(C)=O
InChIInChI=1S/C11H12F2O2/c1-7(14)5-9-6-8(11(12)13)3-4-10(9)15-2/h3-4,6,11H,5H2,1-2H3
InChIKeyHWOLPLUNDFQEPV-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.76
Rot. Bonds4

About 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one

1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one (PubChem CID 84680200) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
PubChem CID84680200
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
SMILESCOc1ccc(C(F)F)cc1CC(C)=O
InChIInChI=1S/C11H12F2O2/c1-7(14)5-9-6-8(11(12)13)3-4-10(9)15-2/h3-4,6,11H,5H2,1-2H3
InChIKeyHWOLPLUNDFQEPV-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one
CID 134616858
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
4-(difluoromethyl)-1-methoxy-2-propylbenzene
CID 165125714
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 118813115
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1-[4-(difluoromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 166641045
2-[3-(fluoromethyl)-4-methoxyphenyl]propanoic acid
CID 117302887
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-bromo-1-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-one
CID 134619123
N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 110780628
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butan-2-one
CID 115235635

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one?
The IUPAC name of 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one (CID 84680200) is 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one?
The canonical SMILES for 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one is COc1ccc(C(F)F)cc1CC(C)=O.
What is the InChIKey of 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one?
The InChIKey is HWOLPLUNDFQEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(14)5-9-6-8(11(12)13)3-4-10(9)15-2/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one?
1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-methoxyphenyl]propan-2-one is sourced from PubChem (CID 84680200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).