3,3-difluoropiperidine-2-carbonitrile

C6H8F2N2 — CID 134210253

IUPAC3,3-difluoropiperidine-2-carbonitrile
SMILESN#CC1NCCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2
InChIKeyOSGRGXSXOZJOML-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.90
Rot. Bonds

About 3,3-difluoropiperidine-2-carbonitrile

3,3-difluoropiperidine-2-carbonitrile (PubChem CID 134210253) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3,3-difluoropiperidine-2-carbonitrile.

Molecular Properties

Compound Name3,3-difluoropiperidine-2-carbonitrile
PubChem CID134210253
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name3,3-difluoropiperidine-2-carbonitrile
SMILESN#CC1NCCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2
InChIKeyOSGRGXSXOZJOML-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine-2-carbonitrile?
The IUPAC name of 3,3-difluoropiperidine-2-carbonitrile (CID 134210253) is 3,3-difluoropiperidine-2-carbonitrile.
What is the SMILES notation for 3,3-difluoropiperidine-2-carbonitrile?
The canonical SMILES for 3,3-difluoropiperidine-2-carbonitrile is N#CC1NCCCC1(F)F.
What is the InChIKey of 3,3-difluoropiperidine-2-carbonitrile?
The InChIKey is OSGRGXSXOZJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2.
What are the key properties of 3,3-difluoropiperidine-2-carbonitrile?
3,3-difluoropiperidine-2-carbonitrile has a molecular weight of 146.14 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine-2-carbonitrile is sourced from PubChem (CID 134210253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).