2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone

C11H12F2O2 — CID 103433037

IUPAC2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)C(F)F)ccc(C)c1C
InChIInChI=1S/C11H12F2O2/c1-6-4-5-8(9(14)11(12)13)10(15-3)7(6)2/h4-5,11H,1-3H3
InChIKeyZBBSMATXUURBRD-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.76
Rot. Bonds3

About 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone

2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone (PubChem CID 103433037) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
PubChem CID103433037
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone
SMILESCOc1c(C(=O)C(F)F)ccc(C)c1C
InChIInChI=1S/C11H12F2O2/c1-6-4-5-8(9(14)11(12)13)10(15-3)7(6)2/h4-5,11H,1-3H3
InChIKeyZBBSMATXUURBRD-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 ≤ 500214.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
(3-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432923
(2-ethoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103433024
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
cyclopentyl-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432869
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)benzoic acid
CID 103434038
(2-methoxy-3,4-dimethylphenyl)-(thiolan-2-yl)methanone
CID 103433008
1-(2-methoxy-3,4-dimethylphenyl)heptan-1-one
CID 103435068
2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-one
CID 103433056
1-(2-methoxy-3,4-dimethylphenyl)-2-propoxyethanone
CID 103432888
2-bromo-1-(2,4-dimethoxy-3-methylphenyl)propan-1-one
CID 14199715

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone (CID 103433037) is 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone is COc1c(C(=O)C(F)F)ccc(C)c1C.
What is the InChIKey of 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
The InChIKey is ZBBSMATXUURBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6-4-5-8(9(14)11(12)13)10(15-3)7(6)2/h4-5,11H,1-3H3.
What are the key properties of 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone?
2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone has a molecular weight of 214.21 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 2,2-difluoro-1-(2-methoxy-3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 103433037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).