2-(4-fluoropiperidin-1-yl)acetonitrile

C7H11FN2 — CID 18180012

IUPAC2-(4-fluoropiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(F)CC1
InChIInChI=1S/C7H11FN2/c8-7-1-4-10(5-2-7)6-3-9/h7H,1-2,4-6H2
InChIKeyWCFURHVAXRZTHT-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.94
Rot. Bonds1

About 2-(4-fluoropiperidin-1-yl)acetonitrile

2-(4-fluoropiperidin-1-yl)acetonitrile (PubChem CID 18180012) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-(4-fluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoropiperidin-1-yl)acetonitrile
PubChem CID18180012
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-(4-fluoropiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(F)CC1
InChIInChI=1S/C7H11FN2/c8-7-1-4-10(5-2-7)6-3-9/h7H,1-2,4-6H2
InChIKeyWCFURHVAXRZTHT-UHFFFAOYSA-N
XLogP0.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-fluoropiperidin-1-yl)acetonitrile (CID 18180012) is 2-(4-fluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoropiperidin-1-yl)acetonitrile is N#CCN1CCC(F)CC1.
What is the InChIKey of 2-(4-fluoropiperidin-1-yl)acetonitrile?
The InChIKey is WCFURHVAXRZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c8-7-1-4-10(5-2-7)6-3-9/h7H,1-2,4-6H2.
What are the key properties of 2-(4-fluoropiperidin-1-yl)acetonitrile?
2-(4-fluoropiperidin-1-yl)acetonitrile has a molecular weight of 142.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 18180012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).