1-(3,3-difluorobutyl)piperidin-2-imine

C9H16F2N2 — CID 126988419

IUPAC1-(3,3-difluorobutyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCC(C)(F)F
InChIInChI=1S/C9H16F2N2/c1-9(10,11)5-7-13-6-3-2-4-8(13)12/h12H,2-7H2,1H3/b12-8+
InChIKeyJSSAJXXWGGQNIE-XYOKQWHBSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds3

About 1-(3,3-difluorobutyl)piperidin-2-imine

1-(3,3-difluorobutyl)piperidin-2-imine (PubChem CID 126988419) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)piperidin-2-imine.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)piperidin-2-imine
PubChem CID126988419
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-(3,3-difluorobutyl)piperidin-2-imine
SMILES[H]/N=C1\CCCCN1CCC(C)(F)F
InChIInChI=1S/C9H16F2N2/c1-9(10,11)5-7-13-6-3-2-4-8(13)12/h12H,2-7H2,1H3/b12-8+
InChIKeyJSSAJXXWGGQNIE-XYOKQWHBSA-N
XLogP2.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)piperidin-2-imine?
The IUPAC name of 1-(3,3-difluorobutyl)piperidin-2-imine (CID 126988419) is 1-(3,3-difluorobutyl)piperidin-2-imine.
What is the SMILES notation for 1-(3,3-difluorobutyl)piperidin-2-imine?
The canonical SMILES for 1-(3,3-difluorobutyl)piperidin-2-imine is [H]/N=C1\CCCCN1CCC(C)(F)F.
What is the InChIKey of 1-(3,3-difluorobutyl)piperidin-2-imine?
The InChIKey is JSSAJXXWGGQNIE-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-9(10,11)5-7-13-6-3-2-4-8(13)12/h12H,2-7H2,1H3/b12-8+.
What are the key properties of 1-(3,3-difluorobutyl)piperidin-2-imine?
1-(3,3-difluorobutyl)piperidin-2-imine has a molecular weight of 190.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)piperidin-2-imine is sourced from PubChem (CID 126988419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).