4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile

C14H2F6N2 — CID 88914315

IUPAC4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1cc(F)c(-c2c(F)c(F)c(C#N)c(F)c2F)cc1F
InChIInChI=1S/C14H2F6N2/c15-8-2-6(9(16)1-5(8)3-21)10-13(19)11(17)7(4-22)12(18)14(10)20/h1-2H
InChIKeyYTYXLSHXEUWMLS-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.93
Rot. Bonds1

About 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile

4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile (PubChem CID 88914315) has the molecular formula C14H2F6N2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile.

Molecular Properties

Compound Name4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
PubChem CID88914315
Molecular FormulaC14H2F6N2
Molecular Weight312.17 g/mol
Exact Mass312.01
IUPAC Name4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
SMILESN#Cc1cc(F)c(-c2c(F)c(F)c(C#N)c(F)c2F)cc1F
InChIInChI=1S/C14H2F6N2/c15-8-2-6(9(16)1-5(8)3-21)10-13(19)11(17)7(4-22)12(18)14(10)20/h1-2H
InChIKeyYTYXLSHXEUWMLS-UHFFFAOYSA-N
XLogP3.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile?
The IUPAC name of 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile (CID 88914315) is 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile.
What is the SMILES notation for 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile?
The canonical SMILES for 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile is N#Cc1cc(F)c(-c2c(F)c(F)c(C#N)c(F)c2F)cc1F.
What is the InChIKey of 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile?
The InChIKey is YTYXLSHXEUWMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F6N2/c15-8-2-6(9(16)1-5(8)3-21)10-13(19)11(17)7(4-22)12(18)14(10)20/h1-2H.
What are the key properties of 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile?
4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile has a molecular weight of 312.17 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2,5-difluorophenyl)-2,3,5,6-tetrafluorobenzonitrile is sourced from PubChem (CID 88914315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).