1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one

C11H12F2O2 — CID 58180939

IUPAC1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)c(F)c1F
InChIInChI=1S/C11H12F2O2/c1-6(2)11(14)7-4-5-8(15-3)10(13)9(7)12/h4-6H,1-3H3
InChIKeyKOTCMEXKYJFQFQ-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one

1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 58180939) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID58180939
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)C)c(F)c1F
InChIInChI=1S/C11H12F2O2/c1-6(2)11(14)7-4-5-8(15-3)10(13)9(7)12/h4-6H,1-3H3
InChIKeyKOTCMEXKYJFQFQ-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-one
CID 115792771
6-amino-1-(2-fluoro-3-methoxyphenyl)-2-methylheptan-1-one
CID 116574297
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
1-(2,4-difluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164895051
1-(2-fluoro-5-methoxyphenyl)-2-methylpropan-1-one
CID 83388472
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
1-[2-(fluoromethyl)-4-methoxy-1,3-benzothiazol-7-yl]-2-methylpropan-1-one
CID 70886529
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one (CID 58180939) is 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)C(C)C)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is KOTCMEXKYJFQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6(2)11(14)7-4-5-8(15-3)10(13)9(7)12/h4-6H,1-3H3.
What are the key properties of 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one?
1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 214.21 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 58180939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).