(3R)-4,4-difluoropiperidine-3-carbonitrile

C6H8F2N2 — CID 142278456

IUPAC(3R)-4,4-difluoropiperidine-3-carbonitrile
SMILESN#C[C@H]1CNCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)1-2-10-4-5(6)3-9/h5,10H,1-2,4H2/t5-/m0/s1
InChIKeyYJTOXZFKMOHZBX-YFKPBYRVSA-N
MW146.14 g/mol
LogP0.75
Rot. Bonds

About (3R)-4,4-difluoropiperidine-3-carbonitrile

(3R)-4,4-difluoropiperidine-3-carbonitrile (PubChem CID 142278456) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R)-4,4-difluoropiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4,4-difluoropiperidine-3-carbonitrile
PubChem CID142278456
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name(3R)-4,4-difluoropiperidine-3-carbonitrile
SMILESN#C[C@H]1CNCCC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)1-2-10-4-5(6)3-9/h5,10H,1-2,4H2/t5-/m0/s1
InChIKeyYJTOXZFKMOHZBX-YFKPBYRVSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-hydroxy-4-methylpiperidine-3-carbonitrile
CID 130972078
(3S)-3,4,4-trifluoropiperidine
CID 124662369
4,4-difluoropiperidin-3-amine
CID 86775600
2,2-difluorocyclopropane-1-carbonitrile
CID 11672662
4,4-difluoropiperidin-3-amine;hydrochloride
CID 121487885
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
4,4-dimethylpyrrolidine-3-carbonitrile
CID 121199312
(3S)-N,N-diethyl-4,4-difluoropiperidin-3-amine
CID 115019066
2,2-difluoropiperidine-3-carbonitrile
CID 142278530
(2R)-3,3-difluoropiperidine-2-carbonitrile
CID 134210252
(5S)-4,4,5-trifluoroazepane
CID 124556119
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-difluoropiperidine-3-carbonitrile?
The IUPAC name of (3R)-4,4-difluoropiperidine-3-carbonitrile (CID 142278456) is (3R)-4,4-difluoropiperidine-3-carbonitrile.
What is the SMILES notation for (3R)-4,4-difluoropiperidine-3-carbonitrile?
The canonical SMILES for (3R)-4,4-difluoropiperidine-3-carbonitrile is N#C[C@H]1CNCCC1(F)F.
What is the InChIKey of (3R)-4,4-difluoropiperidine-3-carbonitrile?
The InChIKey is YJTOXZFKMOHZBX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)1-2-10-4-5(6)3-9/h5,10H,1-2,4H2/t5-/m0/s1.
What are the key properties of (3R)-4,4-difluoropiperidine-3-carbonitrile?
(3R)-4,4-difluoropiperidine-3-carbonitrile has a molecular weight of 146.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-difluoropiperidine-3-carbonitrile is sourced from PubChem (CID 142278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).