2-fluoro-6-(3-methyloctan-3-yl)pyrazine

C13H21FN2 — CID 146377439

IUPAC2-fluoro-6-(3-methyloctan-3-yl)pyrazine
SMILESCCCCCC(C)(CC)c1cncc(F)n1
InChIInChI=1S/C13H21FN2/c1-4-6-7-8-13(3,5-2)11-9-15-10-12(14)16-11/h9-10H,4-8H2,1-3H3
InChIKeyLERHABGRWMTUQK-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.86
Rot. Bonds6

About 2-fluoro-6-(3-methyloctan-3-yl)pyrazine

2-fluoro-6-(3-methyloctan-3-yl)pyrazine (PubChem CID 146377439) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-fluoro-6-(3-methyloctan-3-yl)pyrazine.

Molecular Properties

Compound Name2-fluoro-6-(3-methyloctan-3-yl)pyrazine
PubChem CID146377439
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name2-fluoro-6-(3-methyloctan-3-yl)pyrazine
SMILESCCCCCC(C)(CC)c1cncc(F)n1
InChIInChI=1S/C13H21FN2/c1-4-6-7-8-13(3,5-2)11-9-15-10-12(14)16-11/h9-10H,4-8H2,1-3H3
InChIKeyLERHABGRWMTUQK-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
2-(3-methylnonan-3-yl)pyrazine
CID 139342316
2-fluoro-6-(5-methyldodecan-5-yl)pyridine
CID 138690442
5-(3-methylnonan-3-yl)pyridin-3-amine
CID 137436424
2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
5-(3-methylpentadecan-3-yl)-1,3-oxazole
CID 170549618
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
4,5-difluoro-6-(3-methyloctan-3-yl)pyrimidine
CID 146377311
2-ethenyl-4-(3-methyldecan-3-yl)-1,3-oxazole
CID 155110068
5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
CID 146376749
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
1-tert-butyl-4-(3-methylheptan-3-yl)triazole
CID 139427991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-methyloctan-3-yl)pyrazine?
The IUPAC name of 2-fluoro-6-(3-methyloctan-3-yl)pyrazine (CID 146377439) is 2-fluoro-6-(3-methyloctan-3-yl)pyrazine.
What is the SMILES notation for 2-fluoro-6-(3-methyloctan-3-yl)pyrazine?
The canonical SMILES for 2-fluoro-6-(3-methyloctan-3-yl)pyrazine is CCCCCC(C)(CC)c1cncc(F)n1.
What is the InChIKey of 2-fluoro-6-(3-methyloctan-3-yl)pyrazine?
The InChIKey is LERHABGRWMTUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-6-7-8-13(3,5-2)11-9-15-10-12(14)16-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-6-(3-methyloctan-3-yl)pyrazine?
2-fluoro-6-(3-methyloctan-3-yl)pyrazine has a molecular weight of 224.32 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-methyloctan-3-yl)pyrazine is sourced from PubChem (CID 146377439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).