2,2-difluoropropanedinitrile

C3F2N2 — CID 71375051

IUPAC2,2-difluoropropanedinitrile
SMILESN#CC(F)(F)C#N
InChIInChI=1S/C3F2N2/c4-3(5,1-6)2-7
InChIKeyXWRISGYTPCBGDC-UHFFFAOYSA-N
MW102.04 g/mol
LogP0.67
Rot. Bonds

About 2,2-difluoropropanedinitrile

2,2-difluoropropanedinitrile (PubChem CID 71375051) has the molecular formula C3F2N2 and a molecular weight of 102.04 g/mol. Its IUPAC name is 2,2-difluoropropanedinitrile.

Molecular Properties

Compound Name2,2-difluoropropanedinitrile
PubChem CID71375051
Molecular FormulaC3F2N2
Molecular Weight102.04 g/mol
Exact Mass102.00
IUPAC Name2,2-difluoropropanedinitrile
SMILESN#CC(F)(F)C#N
InChIInChI=1S/C3F2N2/c4-3(5,1-6)2-7
InChIKeyXWRISGYTPCBGDC-UHFFFAOYSA-N
XLogP0.67
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.04
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropanedinitrile?
The IUPAC name of 2,2-difluoropropanedinitrile (CID 71375051) is 2,2-difluoropropanedinitrile.
What is the SMILES notation for 2,2-difluoropropanedinitrile?
The canonical SMILES for 2,2-difluoropropanedinitrile is N#CC(F)(F)C#N.
What is the InChIKey of 2,2-difluoropropanedinitrile?
The InChIKey is XWRISGYTPCBGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F2N2/c4-3(5,1-6)2-7.
What are the key properties of 2,2-difluoropropanedinitrile?
2,2-difluoropropanedinitrile has a molecular weight of 102.04 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropanedinitrile is sourced from PubChem (CID 71375051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).