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

C10F8N2 — CID 10236504

IUPAC2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(F)c(C#N)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C10F8N2/c11-7-3(1-19)5(9(13,14)15)8(12)6(4(7)2-20)10(16,17)18
InChIKeyITNPMHCLLYRMAI-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.75
Rot. Bonds

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

2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile (PubChem CID 10236504) has the molecular formula C10F8N2 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile
PubChem CID10236504
Molecular FormulaC10F8N2
Molecular Weight300.11 g/mol
Exact Mass299.99
IUPAC Name2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(F)c(C#N)c(C(F)(F)F)c(F)c1C(F)(F)F
InChIInChI=1S/C10F8N2/c11-7-3(1-19)5(9(13,14)15)8(12)6(4(7)2-20)10(16,17)18
InChIKeyITNPMHCLLYRMAI-UHFFFAOYSA-N
XLogP3.75
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile (CID 10236504) is 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile is N#Cc1c(F)c(C#N)c(C(F)(F)F)c(F)c1C(F)(F)F.
What is the InChIKey of 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile?
The InChIKey is ITNPMHCLLYRMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F8N2/c11-7-3(1-19)5(9(13,14)15)8(12)6(4(7)2-20)10(16,17)18.
What are the key properties of 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile?
2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile has a molecular weight of 300.11 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,6-bis(trifluoromethyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 10236504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).