2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine

C8H12F2N2 — CID 70340190

IUPAC2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine
SMILESCC1C=CC(C(F)(F)CN)=NC1
InChIInChI=1S/C8H12F2N2/c1-6-2-3-7(12-4-6)8(9,10)5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyHVUQCXPAAKZUQB-UHFFFAOYSA-N
MW174.19 g/mol
LogP1.23
Rot. Bonds2

About 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine

2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine (PubChem CID 70340190) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine
PubChem CID70340190
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine
SMILESCC1C=CC(C(F)(F)CN)=NC1
InChIInChI=1S/C8H12F2N2/c1-6-2-3-7(12-4-6)8(9,10)5-11/h2-3,6H,4-5,11H2,1H3
InChIKeyHVUQCXPAAKZUQB-UHFFFAOYSA-N
XLogP1.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine 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 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine (CID 70340190) is 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine is CC1C=CC(C(F)(F)CN)=NC1.
What is the InChIKey of 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine?
The InChIKey is HVUQCXPAAKZUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-6-2-3-7(12-4-6)8(9,10)5-11/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine?
2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine has a molecular weight of 174.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methyl-2,3-dihydropyridin-6-yl)ethanamine is sourced from PubChem (CID 70340190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).