2-(6-fluorohept-1-ynyl)pyrazine

C11H13FN2 — CID 142658349

IUPAC2-(6-fluorohept-1-ynyl)pyrazine
SMILESCC(F)CCCC#Cc1cnccn1
InChIInChI=1S/C11H13FN2/c1-10(12)5-3-2-4-6-11-9-13-7-8-14-11/h7-10H,2-3,5H2,1H3
InChIKeyNKPULHYSZBZHGS-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.36
Rot. Bonds3

About 2-(6-fluorohept-1-ynyl)pyrazine

2-(6-fluorohept-1-ynyl)pyrazine (PubChem CID 142658349) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(6-fluorohept-1-ynyl)pyrazine.

Molecular Properties

Compound Name2-(6-fluorohept-1-ynyl)pyrazine
PubChem CID142658349
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(6-fluorohept-1-ynyl)pyrazine
SMILESCC(F)CCCC#Cc1cnccn1
InChIInChI=1S/C11H13FN2/c1-10(12)5-3-2-4-6-11-9-13-7-8-14-11/h7-10H,2-3,5H2,1H3
InChIKeyNKPULHYSZBZHGS-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethylpyrazine
CID 31252
2,6-Dimethylpyrazine
CID 7938
Trimethylpyrazine
CID 26808
2-Methylpyrazine
CID 7976
2,3-Dimethylpyrazine
CID 22201
2-Ethynylpyrazine
CID 15639205
2-(Trifluoromethyl)pyrazine
CID 17888936
3-Fluoro-2,5-dimethylpyrazine
CID 10057509
2-[2-(Trimethylsilyl)ethynyl]pyrazine
CID 18182321
2-Methyl-5-(trifluoromethyl)pyrazine
CID 45790699
2-Ethynyl-3-methylpyrazine
CID 71300065
3-Ethynyl-1-methylpyrazin-1-ium
CID 172454299

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorohept-1-ynyl)pyrazine?
The IUPAC name of 2-(6-fluorohept-1-ynyl)pyrazine (CID 142658349) is 2-(6-fluorohept-1-ynyl)pyrazine.
What is the SMILES notation for 2-(6-fluorohept-1-ynyl)pyrazine?
The canonical SMILES for 2-(6-fluorohept-1-ynyl)pyrazine is CC(F)CCCC#Cc1cnccn1.
What is the InChIKey of 2-(6-fluorohept-1-ynyl)pyrazine?
The InChIKey is NKPULHYSZBZHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-10(12)5-3-2-4-6-11-9-13-7-8-14-11/h7-10H,2-3,5H2,1H3.
What are the key properties of 2-(6-fluorohept-1-ynyl)pyrazine?
2-(6-fluorohept-1-ynyl)pyrazine has a molecular weight of 192.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorohept-1-ynyl)pyrazine is sourced from PubChem (CID 142658349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).