2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine

C19H31F3N2 — CID 135234335

IUPAC2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine
SMILESCCCCCCCC(CCCCCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C19H31F3N2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-24-18(15-23-17)19(20,21)22/h14-16H,3-13H2,1-2H3
InChIKeyYXMOJIBSDRNLFH-UHFFFAOYSA-N
MW344.47 g/mol
LogP6.91
Rot. Bonds12

About 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine

2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine (PubChem CID 135234335) has the molecular formula C19H31F3N2 and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine
PubChem CID135234335
Molecular FormulaC19H31F3N2
Molecular Weight344.47 g/mol
Exact Mass344.24
IUPAC Name2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine
SMILESCCCCCCCC(CCCCCC)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C19H31F3N2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-24-18(15-23-17)19(20,21)22/h14-16H,3-13H2,1-2H3
InChIKeyYXMOJIBSDRNLFH-UHFFFAOYSA-N
XLogP6.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.47
LogP ≤ 56.91
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-tetradecan-7-yl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine (CID 135234335) is 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine is CCCCCCCC(CCCCCC)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine?
The InChIKey is YXMOJIBSDRNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3N2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)17-14-24-18(15-23-17)19(20,21)22/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine?
2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine has a molecular weight of 344.47 g/mol, XLogP of 6.91, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-7-yl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 135234335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).