2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine

C8H12F2N2 — CID 162577894

IUPAC2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine
SMILESCN1CC=CC=C1C(F)(F)CN
InChIInChI=1S/C8H12F2N2/c1-12-5-3-2-4-7(12)8(9,10)6-11/h2-4H,5-6,11H2,1H3
InChIKeyWSFGBZYJHXZVAX-UHFFFAOYSA-N
MW174.19 g/mol
LogP0.97
Rot. Bonds2

About 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine

2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine (PubChem CID 162577894) has the molecular formula C8H12F2N2 and a molecular weight of 174.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine
PubChem CID162577894
Molecular FormulaC8H12F2N2
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine
SMILESCN1CC=CC=C1C(F)(F)CN
InChIInChI=1S/C8H12F2N2/c1-12-5-3-2-4-7(12)8(9,10)6-11/h2-4H,5-6,11H2,1H3
InChIKeyWSFGBZYJHXZVAX-UHFFFAOYSA-N
XLogP0.97
TPSA29.26 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine (CID 162577894) is 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine is CN1CC=CC=C1C(F)(F)CN.
What is the InChIKey of 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine?
The InChIKey is WSFGBZYJHXZVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2/c1-12-5-3-2-4-7(12)8(9,10)6-11/h2-4H,5-6,11H2,1H3.
What are the key properties of 2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine?
2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethanamine has a molecular weight of 174.19 g/mol, XLogP of 0.97, 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-(1-methyl-2H-pyridin-6-yl)ethanamine is sourced from PubChem (CID 162577894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).