2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine

C7H9F2N3 — CID 115405977

IUPAC2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnccn1
InChIInChI=1S/C7H9F2N3/c8-7(9)5-11-4-6-3-10-1-2-12-6/h1-3,7,11H,4-5H2
InChIKeyKFJBEADZJVDPCW-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.83
Rot. Bonds4

About 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine

2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 115405977) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID115405977
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
SMILESFC(F)CNCc1cnccn1
InChIInChI=1S/C7H9F2N3/c8-7(9)5-11-4-6-3-10-1-2-12-6/h1-3,7,11H,4-5H2
InChIKeyKFJBEADZJVDPCW-UHFFFAOYSA-N
XLogP0.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine (CID 115405977) is 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine is FC(F)CNCc1cnccn1.
What is the InChIKey of 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is KFJBEADZJVDPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-7(9)5-11-4-6-3-10-1-2-12-6/h1-3,7,11H,4-5H2.
What are the key properties of 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine?
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 173.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 115405977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).