difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

C7H12F2N2 — CID 105431839

IUPACdifluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(C(N)(F)F)CC1
InChIInChI=1S/C7H12F2N2/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5,10H2,1H3
InChIKeyWHZYHOASVFDIEB-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.80
Rot. Bonds1

About difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 105431839) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.

Molecular Properties

Compound Namedifluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID105431839
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Namedifluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCN1CC=C(C(N)(F)F)CC1
InChIInChI=1S/C7H12F2N2/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5,10H2,1H3
InChIKeyWHZYHOASVFDIEB-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 105431839) is difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is CN1CC=C(C(N)(F)F)CC1.
What is the InChIKey of difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is WHZYHOASVFDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-11-4-2-6(3-5-11)7(8,9)10/h2H,3-5,10H2,1H3.
What are the key properties of difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine has a molecular weight of 162.18 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is sourced from PubChem (CID 105431839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).