4-cyclopropyl-3,5-difluorobenzonitrile

C10H7F2N — CID 118879698

IUPAC4-cyclopropyl-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C10H7F2N/c11-8-3-6(5-13)4-9(12)10(8)7-1-2-7/h3-4,7H,1-2H2
InChIKeyQXOQWEJGZDSYIU-UHFFFAOYSA-N
MW179.17 g/mol
LogP2.71
Rot. Bonds1

About 4-cyclopropyl-3,5-difluorobenzonitrile

4-cyclopropyl-3,5-difluorobenzonitrile (PubChem CID 118879698) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-cyclopropyl-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-cyclopropyl-3,5-difluorobenzonitrile
PubChem CID118879698
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name4-cyclopropyl-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(C2CC2)c(F)c1
InChIInChI=1S/C10H7F2N/c11-8-3-6(5-13)4-9(12)10(8)7-1-2-7/h3-4,7H,1-2H2
InChIKeyQXOQWEJGZDSYIU-UHFFFAOYSA-N
XLogP2.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,5-difluorobenzonitrile?
The IUPAC name of 4-cyclopropyl-3,5-difluorobenzonitrile (CID 118879698) is 4-cyclopropyl-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-cyclopropyl-3,5-difluorobenzonitrile?
The canonical SMILES for 4-cyclopropyl-3,5-difluorobenzonitrile is N#Cc1cc(F)c(C2CC2)c(F)c1.
What is the InChIKey of 4-cyclopropyl-3,5-difluorobenzonitrile?
The InChIKey is QXOQWEJGZDSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c11-8-3-6(5-13)4-9(12)10(8)7-1-2-7/h3-4,7H,1-2H2.
What are the key properties of 4-cyclopropyl-3,5-difluorobenzonitrile?
4-cyclopropyl-3,5-difluorobenzonitrile has a molecular weight of 179.17 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,5-difluorobenzonitrile is sourced from PubChem (CID 118879698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).