2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine

C9H12FN3 — CID 112567200

IUPAC2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine
SMILESNCC(F)(c1cnccn1)C1CC1
InChIInChI=1S/C9H12FN3/c10-9(6-11,7-1-2-7)8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2
InChIKeyMADOPBXIZFOOCC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.01
Rot. Bonds3

About 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine

2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine (PubChem CID 112567200) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine
PubChem CID112567200
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine
SMILESNCC(F)(c1cnccn1)C1CC1
InChIInChI=1S/C9H12FN3/c10-9(6-11,7-1-2-7)8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2
InChIKeyMADOPBXIZFOOCC-UHFFFAOYSA-N
XLogP1.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine?
The IUPAC name of 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine (CID 112567200) is 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine is NCC(F)(c1cnccn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine?
The InChIKey is MADOPBXIZFOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-9(6-11,7-1-2-7)8-5-12-3-4-13-8/h3-5,7H,1-2,6,11H2.
What are the key properties of 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine?
2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine has a molecular weight of 181.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 112567200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).