ethyl 2-(2,2-difluoroethenyl)benzoate

C11H10F2O2 — CID 121364500

IUPACethyl 2-(2,2-difluoroethenyl)benzoate
SMILESCCOC(=O)c1ccccc1C=C(F)F
InChIInChI=1S/C11H10F2O2/c1-2-15-11(14)9-6-4-3-5-8(9)7-10(12)13/h3-7H,2H2,1H3
InChIKeyCYBQDVCYFNAGNR-UHFFFAOYSA-N
MW212.19 g/mol
LogP3.10
Rot. Bonds3

About ethyl 2-(2,2-difluoroethenyl)benzoate

ethyl 2-(2,2-difluoroethenyl)benzoate (PubChem CID 121364500) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is ethyl 2-(2,2-difluoroethenyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(2,2-difluoroethenyl)benzoate
PubChem CID121364500
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Nameethyl 2-(2,2-difluoroethenyl)benzoate
SMILESCCOC(=O)c1ccccc1C=C(F)F
InChIInChI=1S/C11H10F2O2/c1-2-15-11(14)9-6-4-3-5-8(9)7-10(12)13/h3-7H,2H2,1H3
InChIKeyCYBQDVCYFNAGNR-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174879507
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
ethyl 2-[(E)-4-methoxy-4-oxo-2-(trifluoromethyl)-3-(triphenyl-lambda5-phosphanylidene)but-1-enyl]benzoate
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barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-difluoroethenyl)benzoate?
The IUPAC name of ethyl 2-(2,2-difluoroethenyl)benzoate (CID 121364500) is ethyl 2-(2,2-difluoroethenyl)benzoate.
What is the SMILES notation for ethyl 2-(2,2-difluoroethenyl)benzoate?
The canonical SMILES for ethyl 2-(2,2-difluoroethenyl)benzoate is CCOC(=O)c1ccccc1C=C(F)F.
What is the InChIKey of ethyl 2-(2,2-difluoroethenyl)benzoate?
The InChIKey is CYBQDVCYFNAGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-15-11(14)9-6-4-3-5-8(9)7-10(12)13/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(2,2-difluoroethenyl)benzoate?
ethyl 2-(2,2-difluoroethenyl)benzoate has a molecular weight of 212.19 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-difluoroethenyl)benzoate is sourced from PubChem (CID 121364500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).