1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine

C8H11F2N3 — CID 80604911

IUPAC1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine
SMILESCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C8H11F2N3/c1-8(11-2,7(9)10)6-5-12-3-4-13-6/h3-5,7,11H,1-2H3
InChIKeyWZXZTOGFWSUPQI-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.18
Rot. Bonds3

About 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine

1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine (PubChem CID 80604911) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine
PubChem CID80604911
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine
SMILESCNC(C)(c1cnccn1)C(F)F
InChIInChI=1S/C8H11F2N3/c1-8(11-2,7(9)10)6-5-12-3-4-13-6/h3-5,7,11H,1-2H3
InChIKeyWZXZTOGFWSUPQI-UHFFFAOYSA-N
XLogP1.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine (CID 80604911) is 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine is CNC(C)(c1cnccn1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine?
The InChIKey is WZXZTOGFWSUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-8(11-2,7(9)10)6-5-12-3-4-13-6/h3-5,7,11H,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine?
1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine has a molecular weight of 187.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-2-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 80604911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).