ethyl 2-(4-cyano-2,3-difluoroanilino)acetate

C11H10F2N2O2 — CID 107933408

IUPACethyl 2-(4-cyano-2,3-difluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C11H10F2N2O2/c1-2-17-9(16)6-15-8-4-3-7(5-14)10(12)11(8)13/h3-4,15H,2,6H2,1H3
InChIKeyPMTOFWIYRINVPL-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-(4-cyano-2,3-difluoroanilino)acetate

ethyl 2-(4-cyano-2,3-difluoroanilino)acetate (PubChem CID 107933408) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 2-(4-cyano-2,3-difluoroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyano-2,3-difluoroanilino)acetate
PubChem CID107933408
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Nameethyl 2-(4-cyano-2,3-difluoroanilino)acetate
SMILESCCOC(=O)CNc1ccc(C#N)c(F)c1F
InChIInChI=1S/C11H10F2N2O2/c1-2-17-9(16)6-15-8-4-3-7(5-14)10(12)11(8)13/h3-4,15H,2,6H2,1H3
InChIKeyPMTOFWIYRINVPL-UHFFFAOYSA-N
XLogP1.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(4,5-dicyanonaphthalen-1-yl)amino]acetate
CID 71818203
ethyl 2-(2-cyano-5-methoxyanilino)acetate
CID 81299411
ethyl 2-(4-cyano-3-fluoro-2-sulfanylphenyl)acetate
CID 134653983
4-(2-chloroprop-2-enylamino)-2,3-difluorobenzonitrile
CID 107934150
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
4-(2-ethoxypropylamino)-2,3-difluorobenzonitrile
CID 107934163
ethyl 2-(2-cyano-6-methylanilino)acetate
CID 107106524
ethyl 2-(3-cyano-2-fluorophenyl)acetate
CID 134652102
ethyl 2-(4-cyano-3-fluoro-2-methoxyphenyl)acetate
CID 134654754
2,3-difluoro-4-(prop-2-ynylamino)benzonitrile
CID 107933287
ethyl 4-cyano-3-fluoro-2-methylbenzoate
CID 134633399
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyano-2,3-difluoroanilino)acetate?
The IUPAC name of ethyl 2-(4-cyano-2,3-difluoroanilino)acetate (CID 107933408) is ethyl 2-(4-cyano-2,3-difluoroanilino)acetate.
What is the SMILES notation for ethyl 2-(4-cyano-2,3-difluoroanilino)acetate?
The canonical SMILES for ethyl 2-(4-cyano-2,3-difluoroanilino)acetate is CCOC(=O)CNc1ccc(C#N)c(F)c1F.
What is the InChIKey of ethyl 2-(4-cyano-2,3-difluoroanilino)acetate?
The InChIKey is PMTOFWIYRINVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-2-17-9(16)6-15-8-4-3-7(5-14)10(12)11(8)13/h3-4,15H,2,6H2,1H3.
What are the key properties of ethyl 2-(4-cyano-2,3-difluoroanilino)acetate?
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate has a molecular weight of 240.21 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyano-2,3-difluoroanilino)acetate is sourced from PubChem (CID 107933408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).