ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate

C11H12F2O3 — CID 39058305

IUPACethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1cccc(OC)c1
InChIInChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-5-4-6-9(7-8)15-2/h4-7H,3H2,1-2H3
InChIKeyYPPCAEMLMPUOIM-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.35
Rot. Bonds4

About ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate

ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate (PubChem CID 39058305) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate
PubChem CID39058305
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Nameethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1cccc(OC)c1
InChIInChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-5-4-6-9(7-8)15-2/h4-7H,3H2,1-2H3
InChIKeyYPPCAEMLMPUOIM-UHFFFAOYSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate (CID 39058305) is ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate is CCOC(=O)C(F)(F)c1cccc(OC)c1.
What is the InChIKey of ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate?
The InChIKey is YPPCAEMLMPUOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-5-4-6-9(7-8)15-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate?
ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate has a molecular weight of 230.21 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 39058305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).