4,5-dichlorofuran-2-carbonitrile

C5HCl2NO — CID 97035114

IUPAC4,5-dichlorofuran-2-carbonitrile
SMILESN#Cc1cc(Cl)c(Cl)o1
InChIInChI=1S/C5HCl2NO/c6-4-1-3(2-8)9-5(4)7/h1H
InChIKeyOKIYOGBELKRXER-UHFFFAOYSA-N
MW161.97 g/mol
LogP2.46
Rot. Bonds

About 4,5-dichlorofuran-2-carbonitrile

4,5-dichlorofuran-2-carbonitrile (PubChem CID 97035114) has the molecular formula C5HCl2NO and a molecular weight of 161.97 g/mol. Its IUPAC name is 4,5-dichlorofuran-2-carbonitrile.

Molecular Properties

Compound Name4,5-dichlorofuran-2-carbonitrile
PubChem CID97035114
Molecular FormulaC5HCl2NO
Molecular Weight161.97 g/mol
Exact Mass160.94
IUPAC Name4,5-dichlorofuran-2-carbonitrile
SMILESN#Cc1cc(Cl)c(Cl)o1
InChIInChI=1S/C5HCl2NO/c6-4-1-3(2-8)9-5(4)7/h1H
InChIKeyOKIYOGBELKRXER-UHFFFAOYSA-N
XLogP2.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.97
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorofuran-2-carbonitrile?
The IUPAC name of 4,5-dichlorofuran-2-carbonitrile (CID 97035114) is 4,5-dichlorofuran-2-carbonitrile.
What is the SMILES notation for 4,5-dichlorofuran-2-carbonitrile?
The canonical SMILES for 4,5-dichlorofuran-2-carbonitrile is N#Cc1cc(Cl)c(Cl)o1.
What is the InChIKey of 4,5-dichlorofuran-2-carbonitrile?
The InChIKey is OKIYOGBELKRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2NO/c6-4-1-3(2-8)9-5(4)7/h1H.
What are the key properties of 4,5-dichlorofuran-2-carbonitrile?
4,5-dichlorofuran-2-carbonitrile has a molecular weight of 161.97 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorofuran-2-carbonitrile is sourced from PubChem (CID 97035114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).