2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine

C8H13FN2 — CID 175198554

IUPAC2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine
SMILESC=CCN1C=CN(C)C(F)C1
InChIInChI=1S/C8H13FN2/c1-3-4-11-6-5-10(2)8(9)7-11/h3,5-6,8H,1,4,7H2,2H3
InChIKeyPCMKIJCCILZDLC-UHFFFAOYSA-N
MW156.20 g/mol
LogP1.19
Rot. Bonds2

About 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine

2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine (PubChem CID 175198554) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine
PubChem CID175198554
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine
SMILESC=CCN1C=CN(C)C(F)C1
InChIInChI=1S/C8H13FN2/c1-3-4-11-6-5-10(2)8(9)7-11/h3,5-6,8H,1,4,7H2,2H3
InChIKeyPCMKIJCCILZDLC-UHFFFAOYSA-N
XLogP1.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine?
The IUPAC name of 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine (CID 175198554) is 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine.
What is the SMILES notation for 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine?
The canonical SMILES for 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine is C=CCN1C=CN(C)C(F)C1.
What is the InChIKey of 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine?
The InChIKey is PCMKIJCCILZDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-3-4-11-6-5-10(2)8(9)7-11/h3,5-6,8H,1,4,7H2,2H3.
What are the key properties of 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine?
2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine has a molecular weight of 156.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-4-prop-2-enyl-2,3-dihydropyrazine is sourced from PubChem (CID 175198554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).