2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

C8H11F2N3 — CID 62847927

IUPAC2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNCC(F)F)cn1
InChIInChI=1S/C8H11F2N3/c1-6-2-13-7(4-12-6)3-11-5-8(9)10/h2,4,8,11H,3,5H2,1H3
InChIKeyINPVALPUNIMXOB-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.14
Rot. Bonds4

About 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine

2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 62847927) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID62847927
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCc1cnc(CNCC(F)F)cn1
InChIInChI=1S/C8H11F2N3/c1-6-2-13-7(4-12-6)3-11-5-8(9)10/h2,4,8,11H,3,5H2,1H3
InChIKeyINPVALPUNIMXOB-UHFFFAOYSA-N
XLogP1.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.14
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-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine (CID 62847927) is 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine is Cc1cnc(CNCC(F)F)cn1.
What is the InChIKey of 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is INPVALPUNIMXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-6-2-13-7(4-12-6)3-11-5-8(9)10/h2,4,8,11H,3,5H2,1H3.
What are the key properties of 2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine?
2,2-difluoro-N-[(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.14, 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-[(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 62847927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).