4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile

C15H6F5N — CID 21138570

IUPAC4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(-c2ccc(C=C(F)F)cc2F)cc1F
InChIInChI=1S/C15H6F5N/c16-12-3-8(4-15(19)20)1-2-10(12)9-5-13(17)11(7-21)14(18)6-9/h1-6H
InChIKeyKWHDHJAOGQTFTN-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.88
Rot. Bonds2

About 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile

4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile (PubChem CID 21138570) has the molecular formula C15H6F5N and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile
PubChem CID21138570
Molecular FormulaC15H6F5N
Molecular Weight295.21 g/mol
Exact Mass295.04
IUPAC Name4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile
SMILESN#Cc1c(F)cc(-c2ccc(C=C(F)F)cc2F)cc1F
InChIInChI=1S/C15H6F5N/c16-12-3-8(4-15(19)20)1-2-10(12)9-5-13(17)11(7-21)14(18)6-9/h1-6H
InChIKeyKWHDHJAOGQTFTN-UHFFFAOYSA-N
XLogP4.88
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile?
The IUPAC name of 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile (CID 21138570) is 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile.
What is the SMILES notation for 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile?
The canonical SMILES for 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile is N#Cc1c(F)cc(-c2ccc(C=C(F)F)cc2F)cc1F.
What is the InChIKey of 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile?
The InChIKey is KWHDHJAOGQTFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F5N/c16-12-3-8(4-15(19)20)1-2-10(12)9-5-13(17)11(7-21)14(18)6-9/h1-6H.
What are the key properties of 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile?
4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile has a molecular weight of 295.21 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile is sourced from PubChem (CID 21138570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).