3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile

C10H2F2N4 — CID 88640478

IUPAC3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile
SMILESN#CC1=C(C#N)C(F)=C(C#N)C(F)(C#N)C1
InChIInChI=1S/C10H2F2N4/c11-9-7(3-14)6(2-13)1-10(12,5-16)8(9)4-15/h1H2
InChIKeyHQNAYXPLMRSZRS-UHFFFAOYSA-N
MW216.15 g/mol
LogP1.71
Rot. Bonds

About 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile

3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile (PubChem CID 88640478) has the molecular formula C10H2F2N4 and a molecular weight of 216.15 g/mol. Its IUPAC name is 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile.

Molecular Properties

Compound Name3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile
PubChem CID88640478
Molecular FormulaC10H2F2N4
Molecular Weight216.15 g/mol
Exact Mass216.02
IUPAC Name3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile
SMILESN#CC1=C(C#N)C(F)=C(C#N)C(F)(C#N)C1
InChIInChI=1S/C10H2F2N4/c11-9-7(3-14)6(2-13)1-10(12,5-16)8(9)4-15/h1H2
InChIKeyHQNAYXPLMRSZRS-UHFFFAOYSA-N
XLogP1.71
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile?
The IUPAC name of 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile (CID 88640478) is 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile.
What is the SMILES notation for 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile?
The canonical SMILES for 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile is N#CC1=C(C#N)C(F)=C(C#N)C(F)(C#N)C1.
What is the InChIKey of 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile?
The InChIKey is HQNAYXPLMRSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F2N4/c11-9-7(3-14)6(2-13)1-10(12,5-16)8(9)4-15/h1H2.
What are the key properties of 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile?
3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile has a molecular weight of 216.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluorocyclohexa-1,3-diene-1,2,4,5-tetracarbonitrile is sourced from PubChem (CID 88640478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).