2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile

C11H12F2N2O — CID 58228144

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile
SMILESN#CC(c1ccoc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H12F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5H2
InChIKeyIGPANDJSMPFJNU-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.58
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile (PubChem CID 58228144) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile
PubChem CID58228144
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile
SMILESN#CC(c1ccoc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H12F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5H2
InChIKeyIGPANDJSMPFJNU-UHFFFAOYSA-N
XLogP2.58
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile (CID 58228144) is 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile is N#CC(c1ccoc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile?
The InChIKey is IGPANDJSMPFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile has a molecular weight of 226.23 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile is sourced from PubChem (CID 58228144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).