1-(2,4-difluorophenyl)-1-methoxybutan-2-one

C11H12F2O2 — CID 83225368

IUPAC1-(2,4-difluorophenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2/c1-3-10(14)11(15-2)8-5-4-7(12)6-9(8)13/h4-6,11H,3H2,1-2H3
InChIKeyXZSUEDFJBNKCSJ-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,4-difluorophenyl)-1-methoxybutan-2-one

1-(2,4-difluorophenyl)-1-methoxybutan-2-one (PubChem CID 83225368) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-methoxybutan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-methoxybutan-2-one
PubChem CID83225368
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(2,4-difluorophenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2O2/c1-3-10(14)11(15-2)8-5-4-7(12)6-9(8)13/h4-6,11H,3H2,1-2H3
InChIKeyXZSUEDFJBNKCSJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
methyl 3-(2,4-difluorophenyl)-3-(ethylamino)propanoate
CID 65234652
1-(2,4-difluorophenyl)-2-methoxypentan-1-ol
CID 116711662
(2,4-difluorophenyl) propanoate
CID 18525986
2-(2,4-difluorophenyl)butanal
CID 83828727
1-(2,4-difluorophenyl)-2-methylbutan-1-one
CID 43160006
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
methyl 4-(2,4-difluorophenyl)-3,4-dihydroxybutanoate
CID 171895163
ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
1-(2,4-difluorophenyl)-2-methoxybutan-1-amine
CID 116715202
methyl 3-(2,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235593

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-methoxybutan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-1-methoxybutan-2-one (CID 83225368) is 1-(2,4-difluorophenyl)-1-methoxybutan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-methoxybutan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-methoxybutan-2-one is CCC(=O)C(OC)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-methoxybutan-2-one?
The InChIKey is XZSUEDFJBNKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-10(14)11(15-2)8-5-4-7(12)6-9(8)13/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-methoxybutan-2-one?
1-(2,4-difluorophenyl)-1-methoxybutan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-methoxybutan-2-one is sourced from PubChem (CID 83225368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).