1-(2,2-difluoroethyl)piperidin-2-imine

C7H12F2N2 — CID 115407539

IUPAC1-(2,2-difluoroethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC(F)F
InChIInChI=1S/C7H12F2N2/c8-6(9)5-11-4-2-1-3-7(11)10/h6,10H,1-5H2/b10-7+
InChIKeyQONPHARJOMQLBQ-JXMROGBWSA-N
MW162.18 g/mol
LogP1.71
Rot. Bonds2

About 1-(2,2-difluoroethyl)piperidin-2-imine

1-(2,2-difluoroethyl)piperidin-2-imine (PubChem CID 115407539) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)piperidin-2-imine
PubChem CID115407539
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(2,2-difluoroethyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CC(F)F
InChIInChI=1S/C7H12F2N2/c8-6(9)5-11-4-2-1-3-7(11)10/h6,10H,1-5H2/b10-7+
InChIKeyQONPHARJOMQLBQ-JXMROGBWSA-N
XLogP1.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Methylpiperidin-2-imine
CID 12449028
1-(Piperidin-1-yl)ethanimine
CID 15794557
1-(Trifluoromethyl)piperidin-2-imine
CID 56991411
N-ethyl-4,4,4-trifluoro-N-methylbutanimidamide
CID 59020717
1-(4-Fluoropiperidin-1-yl)ethan-1-imine
CID 59020781
Piperidine-1-carboximidoyl fluoride
CID 89319756
4,4-Difluoropiperidine-1-carboximidamide
CID 121200766
1,5,5-Trifluoropiperidin-2-imine
CID 140380918
(4,4-Difluoropiperidin-1-yl)methanimine
CID 146550467
1-(2,2,2-Trifluoroethanimidoyl)piperidin-2-imine
CID 147439403
6-Fluoro-1-propanimidoylpiperidin-2-imine
CID 155700518
4-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperidin-2-imine
CID 166139789

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)piperidin-2-imine?
The IUPAC name of 1-(2,2-difluoroethyl)piperidin-2-imine (CID 115407539) is 1-(2,2-difluoroethyl)piperidin-2-imine.
What is the SMILES notation for 1-(2,2-difluoroethyl)piperidin-2-imine?
The canonical SMILES for 1-(2,2-difluoroethyl)piperidin-2-imine is [H]/N=C1\CCCCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)piperidin-2-imine?
The InChIKey is QONPHARJOMQLBQ-JXMROGBWSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-6(9)5-11-4-2-1-3-7(11)10/h6,10H,1-5H2/b10-7+.
What are the key properties of 1-(2,2-difluoroethyl)piperidin-2-imine?
1-(2,2-difluoroethyl)piperidin-2-imine has a molecular weight of 162.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)piperidin-2-imine is sourced from PubChem (CID 115407539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).