2-(trifluoromethyl)-5-undecan-5-ylpyrazine

C16H25F3N2 — CID 146209211

IUPAC2-(trifluoromethyl)-5-undecan-5-ylpyrazine
SMILESCCCCCCC(CCCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C16H25F3N2/c1-3-5-7-8-10-13(9-6-4-2)14-11-21-15(12-20-14)16(17,18)19/h11-13H,3-10H2,1-2H3
InChIKeyIAJGXAHQVRRDTA-UHFFFAOYSA-N
MW302.38 g/mol
LogP5.74
Rot. Bonds9

About 2-(trifluoromethyl)-5-undecan-5-ylpyrazine

2-(trifluoromethyl)-5-undecan-5-ylpyrazine (PubChem CID 146209211) has the molecular formula C16H25F3N2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-undecan-5-ylpyrazine.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-undecan-5-ylpyrazine
PubChem CID146209211
Molecular FormulaC16H25F3N2
Molecular Weight302.38 g/mol
Exact Mass302.20
IUPAC Name2-(trifluoromethyl)-5-undecan-5-ylpyrazine
SMILESCCCCCCC(CCCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C16H25F3N2/c1-3-5-7-8-10-13(9-6-4-2)14-11-21-15(12-20-14)16(17,18)19/h11-13H,3-10H2,1-2H3
InChIKeyIAJGXAHQVRRDTA-UHFFFAOYSA-N
XLogP5.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.38
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-undecan-5-ylpyrazine?
The IUPAC name of 2-(trifluoromethyl)-5-undecan-5-ylpyrazine (CID 146209211) is 2-(trifluoromethyl)-5-undecan-5-ylpyrazine.
What is the SMILES notation for 2-(trifluoromethyl)-5-undecan-5-ylpyrazine?
The canonical SMILES for 2-(trifluoromethyl)-5-undecan-5-ylpyrazine is CCCCCCC(CCCC)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-(trifluoromethyl)-5-undecan-5-ylpyrazine?
The InChIKey is IAJGXAHQVRRDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2/c1-3-5-7-8-10-13(9-6-4-2)14-11-21-15(12-20-14)16(17,18)19/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(trifluoromethyl)-5-undecan-5-ylpyrazine?
2-(trifluoromethyl)-5-undecan-5-ylpyrazine has a molecular weight of 302.38 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-undecan-5-ylpyrazine is sourced from PubChem (CID 146209211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).