5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile

C7H4F2N2 — CID 86240881

IUPAC5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile
SMILESN#CC12CCC1(C#N)C2(F)F
InChIInChI=1S/C7H4F2N2/c8-7(9)5(3-10)1-2-6(5,7)4-11/h1-2H2
InChIKeyDBSQDRFFOXSNQQ-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.45
Rot. Bonds

About 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile

5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile (PubChem CID 86240881) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile.

Molecular Properties

Compound Name5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile
PubChem CID86240881
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile
SMILESN#CC12CCC1(C#N)C2(F)F
InChIInChI=1S/C7H4F2N2/c8-7(9)5(3-10)1-2-6(5,7)4-11/h1-2H2
InChIKeyDBSQDRFFOXSNQQ-UHFFFAOYSA-N
XLogP1.45
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile?
The IUPAC name of 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile (CID 86240881) is 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile.
What is the SMILES notation for 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile?
The canonical SMILES for 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile is N#CC12CCC1(C#N)C2(F)F.
What is the InChIKey of 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile?
The InChIKey is DBSQDRFFOXSNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-7(9)5(3-10)1-2-6(5,7)4-11/h1-2H2.
What are the key properties of 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile?
5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile has a molecular weight of 154.12 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorobicyclo[2.1.0]pentane-1,4-dicarbonitrile is sourced from PubChem (CID 86240881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).