(2R)-3,3-difluoropiperidine-2-carbonitrile

C6H8F2N2 — CID 134210252

IUPAC(2R)-3,3-difluoropiperidine-2-carbonitrile
SMILESN#C[C@H]1NCCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2/t5-/m1/s1
InChIKeyOSGRGXSXOZJOML-RXMQYKEDSA-N
MW146.14 g/mol
LogP0.90
Rot. Bonds

About (2R)-3,3-difluoropiperidine-2-carbonitrile

(2R)-3,3-difluoropiperidine-2-carbonitrile (PubChem CID 134210252) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is (2R)-3,3-difluoropiperidine-2-carbonitrile.

Molecular Properties

Compound Name(2R)-3,3-difluoropiperidine-2-carbonitrile
PubChem CID134210252
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name(2R)-3,3-difluoropiperidine-2-carbonitrile
SMILESN#C[C@H]1NCCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2/t5-/m1/s1
InChIKeyOSGRGXSXOZJOML-RXMQYKEDSA-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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Related Compounds

(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
3-amino-2-methylpiperidine-3-carbonitrile
CID 131218847
4-(3,3-difluoropiperidin-2-yl)pyridine
CID 138111206
2,2-difluorocyclopropane-1-carbonitrile
CID 11672662
2-(4-bromophenyl)-3,3-difluoropiperidine;hydrochloride
CID 115054389
piperidine-2-carbonitrile
CID 71315056
2-(2-bromophenyl)-3,3-difluoropiperidine
CID 84730265
2,2-difluoropiperidine-3-carbonitrile
CID 142278530
2-cycloheptyl-3-fluoro-3-methylpiperidine
CID 84723550
2-chloropiperidine-3-carbonitrile
CID 42628756
3-hydroxypiperidine-2-carbonitrile
CID 146783264
3,3-bis(trifluoromethyl)aziridine-2-carbonitrile
CID 584396

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoropiperidine-2-carbonitrile?
The IUPAC name of (2R)-3,3-difluoropiperidine-2-carbonitrile (CID 134210252) is (2R)-3,3-difluoropiperidine-2-carbonitrile.
What is the SMILES notation for (2R)-3,3-difluoropiperidine-2-carbonitrile?
The canonical SMILES for (2R)-3,3-difluoropiperidine-2-carbonitrile is N#C[C@H]1NCCCC1(F)F.
What is the InChIKey of (2R)-3,3-difluoropiperidine-2-carbonitrile?
The InChIKey is OSGRGXSXOZJOML-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)2-1-3-10-5(6)4-9/h5,10H,1-3H2/t5-/m1/s1.
What are the key properties of (2R)-3,3-difluoropiperidine-2-carbonitrile?
(2R)-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 (2R)-3,3-difluoropiperidine-2-carbonitrile is sourced from PubChem (CID 134210252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).