ethyl 2-cyano-2-(3-fluorophenyl)acetate

C11H10FNO2 — CID 62878035

IUPACethyl 2-cyano-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)10(7-13)8-4-3-5-9(12)6-8/h3-6,10H,2H2,1H3
InChIKeyNZDDOGDUKXFCRY-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.00
Rot. Bonds3

About ethyl 2-cyano-2-(3-fluorophenyl)acetate

ethyl 2-cyano-2-(3-fluorophenyl)acetate (PubChem CID 62878035) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is ethyl 2-cyano-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyano-2-(3-fluorophenyl)acetate
PubChem CID62878035
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Nameethyl 2-cyano-2-(3-fluorophenyl)acetate
SMILESCCOC(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C11H10FNO2/c1-2-15-11(14)10(7-13)8-4-3-5-9(12)6-8/h3-6,10H,2H2,1H3
InChIKeyNZDDOGDUKXFCRY-UHFFFAOYSA-N
XLogP2.00
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-2-(3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-cyano-2-(3-fluorophenyl)acetate (CID 62878035) is ethyl 2-cyano-2-(3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-cyano-2-(3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-cyano-2-(3-fluorophenyl)acetate is CCOC(=O)C(C#N)c1cccc(F)c1.
What is the InChIKey of ethyl 2-cyano-2-(3-fluorophenyl)acetate?
The InChIKey is NZDDOGDUKXFCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-2-15-11(14)10(7-13)8-4-3-5-9(12)6-8/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 2-cyano-2-(3-fluorophenyl)acetate?
ethyl 2-cyano-2-(3-fluorophenyl)acetate has a molecular weight of 207.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 62878035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).