methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate

C11H10F2O4 — CID 68998340

IUPACmethyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)OC(F)F)cc1
InChIInChI=1S/C11H10F2O4/c1-16-10(15)8-4-2-7(3-5-8)6-9(14)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyGEISDNQKTXCLIZ-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.78
Rot. Bonds4

About methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate

methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate (PubChem CID 68998340) has the molecular formula C11H10F2O4 and a molecular weight of 244.19 g/mol. Its IUPAC name is methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate
PubChem CID68998340
Molecular FormulaC11H10F2O4
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Namemethyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate
SMILESCOC(=O)c1ccc(CC(=O)OC(F)F)cc1
InChIInChI=1S/C11H10F2O4/c1-16-10(15)8-4-2-7(3-5-8)6-9(14)17-11(12)13/h2-5,11H,6H2,1H3
InChIKeyGEISDNQKTXCLIZ-UHFFFAOYSA-N
XLogP1.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 4-[(Z)-but-2-enyl]benzoate
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methyl 4-(2-methoxypropyl)benzoate
CID 57294671
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
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[methoxy-(4-methoxycarbonylphenyl)methylidene]azanium chloride
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CID 169081252

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate?
The IUPAC name of methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate (CID 68998340) is methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate?
The canonical SMILES for methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate is COC(=O)c1ccc(CC(=O)OC(F)F)cc1.
What is the InChIKey of methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate?
The InChIKey is GEISDNQKTXCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O4/c1-16-10(15)8-4-2-7(3-5-8)6-9(14)17-11(12)13/h2-5,11H,6H2,1H3.
What are the key properties of methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate?
methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate has a molecular weight of 244.19 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(difluoromethoxy)-2-oxoethyl]benzoate is sourced from PubChem (CID 68998340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).