1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile

C8H2F4N2 — CID 87471472

IUPAC1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile
SMILESN#CC1(F)C=CC(F)=C(F)C1(F)C#N
InChIInChI=1S/C8H2F4N2/c9-5-1-2-7(11,3-13)8(12,4-14)6(5)10/h1-2H
InChIKeyAOZHQJVWAZRAGG-UHFFFAOYSA-N
MW202.11 g/mol
LogP2.17
Rot. Bonds

About 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile

1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile (PubChem CID 87471472) has the molecular formula C8H2F4N2 and a molecular weight of 202.11 g/mol. Its IUPAC name is 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Name1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile
PubChem CID87471472
Molecular FormulaC8H2F4N2
Molecular Weight202.11 g/mol
Exact Mass202.02
IUPAC Name1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile
SMILESN#CC1(F)C=CC(F)=C(F)C1(F)C#N
InChIInChI=1S/C8H2F4N2/c9-5-1-2-7(11,3-13)8(12,4-14)6(5)10/h1-2H
InChIKeyAOZHQJVWAZRAGG-UHFFFAOYSA-N
XLogP2.17
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.11
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile?
The IUPAC name of 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile (CID 87471472) is 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile.
What is the SMILES notation for 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile?
The canonical SMILES for 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile is N#CC1(F)C=CC(F)=C(F)C1(F)C#N.
What is the InChIKey of 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile?
The InChIKey is AOZHQJVWAZRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F4N2/c9-5-1-2-7(11,3-13)8(12,4-14)6(5)10/h1-2H.
What are the key properties of 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile?
1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile has a molecular weight of 202.11 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluorocyclohexa-3,5-diene-1,2-dicarbonitrile is sourced from PubChem (CID 87471472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).