2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine

C9H14F2N2 — CID 162598791

IUPAC2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine
SMILESCCN1CC=CC=C1C(F)(F)CN
InChIInChI=1S/C9H14F2N2/c1-2-13-6-4-3-5-8(13)9(10,11)7-12/h3-5H,2,6-7,12H2,1H3
InChIKeyCPBDXEZVSCFAMT-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.36
Rot. Bonds3

About 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine

2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine (PubChem CID 162598791) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine
PubChem CID162598791
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine
SMILESCCN1CC=CC=C1C(F)(F)CN
InChIInChI=1S/C9H14F2N2/c1-2-13-6-4-3-5-8(13)9(10,11)7-12/h3-5H,2,6-7,12H2,1H3
InChIKeyCPBDXEZVSCFAMT-UHFFFAOYSA-N
XLogP1.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine (CID 162598791) is 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine is CCN1CC=CC=C1C(F)(F)CN.
What is the InChIKey of 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine?
The InChIKey is CPBDXEZVSCFAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-2-13-6-4-3-5-8(13)9(10,11)7-12/h3-5H,2,6-7,12H2,1H3.
What are the key properties of 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine?
2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine has a molecular weight of 188.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2H-pyridin-6-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 162598791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).