2-(4,4-difluoropiperidin-1-yl)acetonitrile

C7H10F2N2 — CID 2758353

IUPAC2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-2,4-6H2
InChIKeyTWBCLLDJDFMGNF-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.24
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)acetonitrile (PubChem CID 2758353) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)acetonitrile
PubChem CID2758353
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)acetonitrile
SMILESN#CCN1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-2,4-6H2
InChIKeyTWBCLLDJDFMGNF-UHFFFAOYSA-N
XLogP1.24
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.24
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-(4,4-difluoropiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)acetonitrile (CID 2758353) is 2-(4,4-difluoropiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)acetonitrile is N#CCN1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)acetonitrile?
The InChIKey is TWBCLLDJDFMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2/c8-7(9)1-4-11(5-2-7)6-3-10/h1-2,4-6H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)acetonitrile has a molecular weight of 160.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)acetonitrile is sourced from PubChem (CID 2758353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).