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

C10H2F2N4 — CID 88640477

IUPAC1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile
SMILESN#CC1=CC(F)(C#N)C(C#N)=C(F)C1C#N
InChIInChI=1S/C10H2F2N4/c11-9-7(3-14)6(2-13)1-10(12,5-16)8(9)4-15/h1,7H
InChIKeyFZJVGOKDSWICKF-UHFFFAOYSA-N
MW216.15 g/mol
LogP1.57
Rot. Bonds

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

1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile (PubChem CID 88640477) has the molecular formula C10H2F2N4 and a molecular weight of 216.15 g/mol. Its IUPAC name is 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile.

Molecular Properties

Compound Name1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile
PubChem CID88640477
Molecular FormulaC10H2F2N4
Molecular Weight216.15 g/mol
Exact Mass216.02
IUPAC Name1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile
SMILESN#CC1=CC(F)(C#N)C(C#N)=C(F)C1C#N
InChIInChI=1S/C10H2F2N4/c11-9-7(3-14)6(2-13)1-10(12,5-16)8(9)4-15/h1,7H
InChIKeyFZJVGOKDSWICKF-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile?
The IUPAC name of 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile (CID 88640477) is 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile.
What is the SMILES notation for 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile?
The canonical SMILES for 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile is N#CC1=CC(F)(C#N)C(C#N)=C(F)C1C#N.
What is the InChIKey of 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile?
The InChIKey is FZJVGOKDSWICKF-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/h1,7H.
What are the key properties of 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile?
1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile has a molecular weight of 216.15 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorocyclohexa-2,5-diene-1,2,4,5-tetracarbonitrile is sourced from PubChem (CID 88640477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).