2,5-difluorohex-3-ynedinitrile

C6H2F2N2 — CID 142714209

IUPAC2,5-difluorohex-3-ynedinitrile
SMILESN#CC(F)C#CC(F)C#N
InChIInChI=1S/C6H2F2N2/c7-5(3-9)1-2-6(8)4-10/h5-6H
InChIKeyFFGNCVDBZFFRCA-UHFFFAOYSA-N
MW140.09 g/mol
LogP0.71
Rot. Bonds

About 2,5-difluorohex-3-ynedinitrile

2,5-difluorohex-3-ynedinitrile (PubChem CID 142714209) has the molecular formula C6H2F2N2 and a molecular weight of 140.09 g/mol. Its IUPAC name is 2,5-difluorohex-3-ynedinitrile.

Molecular Properties

Compound Name2,5-difluorohex-3-ynedinitrile
PubChem CID142714209
Molecular FormulaC6H2F2N2
Molecular Weight140.09 g/mol
Exact Mass140.02
IUPAC Name2,5-difluorohex-3-ynedinitrile
SMILESN#CC(F)C#CC(F)C#N
InChIInChI=1S/C6H2F2N2/c7-5(3-9)1-2-6(8)4-10/h5-6H
InChIKeyFFGNCVDBZFFRCA-UHFFFAOYSA-N
XLogP0.71
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.09
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluorohex-3-ynedinitrile?
The IUPAC name of 2,5-difluorohex-3-ynedinitrile (CID 142714209) is 2,5-difluorohex-3-ynedinitrile.
What is the SMILES notation for 2,5-difluorohex-3-ynedinitrile?
The canonical SMILES for 2,5-difluorohex-3-ynedinitrile is N#CC(F)C#CC(F)C#N.
What is the InChIKey of 2,5-difluorohex-3-ynedinitrile?
The InChIKey is FFGNCVDBZFFRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2/c7-5(3-9)1-2-6(8)4-10/h5-6H.
What are the key properties of 2,5-difluorohex-3-ynedinitrile?
2,5-difluorohex-3-ynedinitrile has a molecular weight of 140.09 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorohex-3-ynedinitrile is sourced from PubChem (CID 142714209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).