2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile

C14H10F2N2O2 — CID 14177539

IUPAC2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile
SMILESC=CCOc1c(F)c(OCC=C)c(C#N)c(F)c1C#N
InChIInChI=1S/C14H10F2N2O2/c1-3-5-19-13-9(7-17)11(15)10(8-18)14(12(13)16)20-6-4-2/h3-4H,1-2,5-6H2
InChIKeyGWSWQRDZLXFRQM-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.84
Rot. Bonds6

About 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile

2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile (PubChem CID 14177539) has the molecular formula C14H10F2N2O2 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile
PubChem CID14177539
Molecular FormulaC14H10F2N2O2
Molecular Weight276.24 g/mol
Exact Mass276.07
IUPAC Name2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile
SMILESC=CCOc1c(F)c(OCC=C)c(C#N)c(F)c1C#N
InChIInChI=1S/C14H10F2N2O2/c1-3-5-19-13-9(7-17)11(15)10(8-18)14(12(13)16)20-6-4-2/h3-4H,1-2,5-6H2
InChIKeyGWSWQRDZLXFRQM-UHFFFAOYSA-N
XLogP2.84
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile (CID 14177539) is 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile is C=CCOc1c(F)c(OCC=C)c(C#N)c(F)c1C#N.
What is the InChIKey of 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile?
The InChIKey is GWSWQRDZLXFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2/c1-3-5-19-13-9(7-17)11(15)10(8-18)14(12(13)16)20-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile?
2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile has a molecular weight of 276.24 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 14177539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).