ethyl 2,2-difluoro-2-phenylacetate

C10H10F2O2 — CID 10631860

IUPACethyl 2,2-difluoro-2-phenylacetate
SMILESCCOC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKCMSDCHUELUJPX-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.34
Rot. Bonds3

About ethyl 2,2-difluoro-2-phenylacetate

ethyl 2,2-difluoro-2-phenylacetate (PubChem CID 10631860) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-phenylacetate
PubChem CID10631860
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Nameethyl 2,2-difluoro-2-phenylacetate
SMILESCCOC(=O)C(F)(F)c1ccccc1
InChIInChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKCMSDCHUELUJPX-UHFFFAOYSA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-phenylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-phenylacetate (CID 10631860) is ethyl 2,2-difluoro-2-phenylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-phenylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-phenylacetate is CCOC(=O)C(F)(F)c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-phenylacetate?
The InChIKey is KCMSDCHUELUJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-phenylacetate?
ethyl 2,2-difluoro-2-phenylacetate has a molecular weight of 200.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-phenylacetate is sourced from PubChem (CID 10631860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).