2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile

C10H16F2N2 — CID 84670665

IUPAC2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
SMILESCC(F)(F)CN1CCC(CC#N)CC1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)8-14-6-3-9(2-5-13)4-7-14/h9H,2-4,6-8H2,1H3
InChIKeyOEPRZQPFXIPUEK-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile

2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile (PubChem CID 84670665) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
PubChem CID84670665
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile
SMILESCC(F)(F)CN1CCC(CC#N)CC1
InChIInChI=1S/C10H16F2N2/c1-10(11,12)8-14-6-3-9(2-5-13)4-7-14/h9H,2-4,6-8H2,1H3
InChIKeyOEPRZQPFXIPUEK-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile (CID 84670665) is 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile is CC(F)(F)CN1CCC(CC#N)CC1.
What is the InChIKey of 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile?
The InChIKey is OEPRZQPFXIPUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-10(11,12)8-14-6-3-9(2-5-13)4-7-14/h9H,2-4,6-8H2,1H3.
What are the key properties of 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile?
2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile has a molecular weight of 202.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoropropyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 84670665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).