2-cyclohexyl-3-fluoropyrazine

C10H13FN2 — CID 58326423

IUPAC2-cyclohexyl-3-fluoropyrazine
SMILESFc1nccnc1C1CCCCC1
InChIInChI=1S/C10H13FN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJCUYAVBTALPYKY-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.66
Rot. Bonds1

About 2-cyclohexyl-3-fluoropyrazine

2-cyclohexyl-3-fluoropyrazine (PubChem CID 58326423) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-cyclohexyl-3-fluoropyrazine.

Molecular Properties

Compound Name2-cyclohexyl-3-fluoropyrazine
PubChem CID58326423
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-cyclohexyl-3-fluoropyrazine
SMILESFc1nccnc1C1CCCCC1
InChIInChI=1S/C10H13FN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyJCUYAVBTALPYKY-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutyl-3-methyl pyrazine
CID 26333
(Cyclohexylmethyl)pyrazine
CID 16204532
Pyrazine, (2-methylpropyl)-
CID 34591
Pentylpyrazine
CID 80551
2,3-Dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-Methyl-6-(3-methylbutyl)pyrazine
CID 572730
5-Sec-butyl-2,3-dimethylpyrazine, 98%
CID 520567
2,3-Dimethyl-5-(2-methylbutyl)pyrazine
CID 528106
Octylpyrazine
CID 528151
2-(3-Methylbutyl)pyrazine
CID 521012
2-Sec-butylpyrazine
CID 528053
2,5-Bis(2-methylpropyl)pyrazine
CID 12722500

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-fluoropyrazine?
The IUPAC name of 2-cyclohexyl-3-fluoropyrazine (CID 58326423) is 2-cyclohexyl-3-fluoropyrazine.
What is the SMILES notation for 2-cyclohexyl-3-fluoropyrazine?
The canonical SMILES for 2-cyclohexyl-3-fluoropyrazine is Fc1nccnc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-fluoropyrazine?
The InChIKey is JCUYAVBTALPYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-cyclohexyl-3-fluoropyrazine?
2-cyclohexyl-3-fluoropyrazine has a molecular weight of 180.23 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-fluoropyrazine is sourced from PubChem (CID 58326423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).