2-(difluoromethyl)benzonitrile

C8H5F2N — CID 57421356

IUPAC2-(difluoromethyl)benzonitrile
SMILESN#Cc1ccccc1C(F)F
InChIInChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H
InChIKeyVZLPLYDPKXQAIA-UHFFFAOYSA-N
MW153.13 g/mol
LogP2.50
Rot. Bonds1

About 2-(difluoromethyl)benzonitrile

2-(difluoromethyl)benzonitrile (PubChem CID 57421356) has the molecular formula C8H5F2N and a molecular weight of 153.13 g/mol. Its IUPAC name is 2-(difluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)benzonitrile
PubChem CID57421356
Molecular FormulaC8H5F2N
Molecular Weight153.13 g/mol
Exact Mass153.04
IUPAC Name2-(difluoromethyl)benzonitrile
SMILESN#Cc1ccccc1C(F)F
InChIInChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H
InChIKeyVZLPLYDPKXQAIA-UHFFFAOYSA-N
XLogP2.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)benzonitrile?
The IUPAC name of 2-(difluoromethyl)benzonitrile (CID 57421356) is 2-(difluoromethyl)benzonitrile.
What is the SMILES notation for 2-(difluoromethyl)benzonitrile?
The canonical SMILES for 2-(difluoromethyl)benzonitrile is N#Cc1ccccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)benzonitrile?
The InChIKey is VZLPLYDPKXQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H.
What are the key properties of 2-(difluoromethyl)benzonitrile?
2-(difluoromethyl)benzonitrile has a molecular weight of 153.13 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)benzonitrile is sourced from PubChem (CID 57421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).