N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine

C23H19F2N3 — CID 118961372

IUPACN-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESFC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21
InChIInChI=1S/C23H19F2N3/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19H,14-15H2
InChIKeyIZXLTNYZHUPYQB-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.95
Rot. Bonds4

About N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine

N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 118961372) has the molecular formula C23H19F2N3 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
PubChem CID118961372
Molecular FormulaC23H19F2N3
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine
SMILESFC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21
InChIInChI=1S/C23H19F2N3/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19H,14-15H2
InChIKeyIZXLTNYZHUPYQB-UHFFFAOYSA-N
XLogP4.95
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine (CID 118961372) is N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine is FC1(F)C2CN(c3cccc(N=C(c4ccccc4)c4ccccc4)n3)CC21.
What is the InChIKey of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is IZXLTNYZHUPYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3/c24-23(25)18-14-28(15-19(18)23)21-13-7-12-20(26-21)27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,18-19H,14-15H2.
What are the key properties of N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine?
N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 375.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 118961372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).