3,5-difluorobenzonitrile

C7H3F2N — CID 587204

IUPAC3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyCQXZSEXZQVKCHW-UHFFFAOYSA-N
MW139.10 g/mol
LogP1.84
Rot. Bonds

About 3,5-difluorobenzonitrile

3,5-difluorobenzonitrile (PubChem CID 587204) has the molecular formula C7H3F2N and a molecular weight of 139.10 g/mol. Its IUPAC name is 3,5-difluorobenzonitrile.

Molecular Properties

Compound Name3,5-difluorobenzonitrile
PubChem CID587204
Molecular FormulaC7H3F2N
Molecular Weight139.10 g/mol
Exact Mass139.02
IUPAC Name3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1
InChIInChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyCQXZSEXZQVKCHW-UHFFFAOYSA-N
XLogP1.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluorobenzonitrile?
The IUPAC name of 3,5-difluorobenzonitrile (CID 587204) is 3,5-difluorobenzonitrile.
What is the SMILES notation for 3,5-difluorobenzonitrile?
The canonical SMILES for 3,5-difluorobenzonitrile is N#Cc1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluorobenzonitrile?
The InChIKey is CQXZSEXZQVKCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H.
What are the key properties of 3,5-difluorobenzonitrile?
3,5-difluorobenzonitrile has a molecular weight of 139.10 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluorobenzonitrile is sourced from PubChem (CID 587204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).