2-cyclopropyl-2-fluoroacetonitrile

C5H6FN — CID 115011030

IUPAC2-cyclopropyl-2-fluoroacetonitrile
SMILESN#CC(F)C1CC1
InChIInChI=1S/C5H6FN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2
InChIKeyHSBSJTPLIIMUGB-UHFFFAOYSA-N
MW99.11 g/mol
LogP1.26
Rot. Bonds1

About 2-cyclopropyl-2-fluoroacetonitrile

2-cyclopropyl-2-fluoroacetonitrile (PubChem CID 115011030) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoroacetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoroacetonitrile
PubChem CID115011030
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC Name2-cyclopropyl-2-fluoroacetonitrile
SMILESN#CC(F)C1CC1
InChIInChI=1S/C5H6FN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2
InChIKeyHSBSJTPLIIMUGB-UHFFFAOYSA-N
XLogP1.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoroacetonitrile?
The IUPAC name of 2-cyclopropyl-2-fluoroacetonitrile (CID 115011030) is 2-cyclopropyl-2-fluoroacetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-fluoroacetonitrile?
The canonical SMILES for 2-cyclopropyl-2-fluoroacetonitrile is N#CC(F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoroacetonitrile?
The InChIKey is HSBSJTPLIIMUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN/c6-5(3-7)4-1-2-4/h4-5H,1-2H2.
What are the key properties of 2-cyclopropyl-2-fluoroacetonitrile?
2-cyclopropyl-2-fluoroacetonitrile has a molecular weight of 99.11 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoroacetonitrile is sourced from PubChem (CID 115011030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).