2,2-difluoropiperidine-3-carbonitrile

C6H8F2N2 — CID 142278530

IUPAC2,2-difluoropiperidine-3-carbonitrile
SMILESN#CC1CCCNC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)5(4-9)2-1-3-10-6/h5,10H,1-3H2
InChIKeyBSDFKURJRMBPBP-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.10
Rot. Bonds

About 2,2-difluoropiperidine-3-carbonitrile

2,2-difluoropiperidine-3-carbonitrile (PubChem CID 142278530) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,2-difluoropiperidine-3-carbonitrile.

Molecular Properties

Compound Name2,2-difluoropiperidine-3-carbonitrile
PubChem CID142278530
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2,2-difluoropiperidine-3-carbonitrile
SMILESN#CC1CCCNC1(F)F
InChIInChI=1S/C6H8F2N2/c7-6(8)5(4-9)2-1-3-10-6/h5,10H,1-3H2
InChIKeyBSDFKURJRMBPBP-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-difluorocyclopropane-1-carbonitrile
CID 11672662
(3R)-4,4-difluoropiperidine-3-carbonitrile
CID 142278456
(4aR,8aS)-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline-8a-carbonitrile
CID 131005908
4-deuteriopiperidine-4-carbonitrile
CID 171780167
2-cyclopropylpyrrolidine-2-carbonitrile
CID 90115241
(2R)-3,3-difluoropiperidine-2-carbonitrile
CID 134210252
thiazinane-6-carbonitrile
CID 174957363
1,2,2-trimethylpiperidine-3-carbonitrile
CID 117019334
ethane;4-methyl-4-azaspiro[2.4]heptane-7-carbonitrile
CID 171103608
4-azaspiro[2.4]heptane-7-carbonitrile;pyridine
CID 169219237
piperidine-3-carbonitrile;hydrochloride
CID 53400639
(4R)-azepane-4-carbonitrile;hydrochloride
CID 171641118

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropiperidine-3-carbonitrile?
The IUPAC name of 2,2-difluoropiperidine-3-carbonitrile (CID 142278530) is 2,2-difluoropiperidine-3-carbonitrile.
What is the SMILES notation for 2,2-difluoropiperidine-3-carbonitrile?
The canonical SMILES for 2,2-difluoropiperidine-3-carbonitrile is N#CC1CCCNC1(F)F.
What is the InChIKey of 2,2-difluoropiperidine-3-carbonitrile?
The InChIKey is BSDFKURJRMBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)5(4-9)2-1-3-10-6/h5,10H,1-3H2.
What are the key properties of 2,2-difluoropiperidine-3-carbonitrile?
2,2-difluoropiperidine-3-carbonitrile has a molecular weight of 146.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropiperidine-3-carbonitrile is sourced from PubChem (CID 142278530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).