4-fluoro-5-tridecan-7-yl-2H-triazole

C15H28FN3 — CID 130311206

IUPAC4-fluoro-5-tridecan-7-yl-2H-triazole
SMILESCCCCCCC(CCCCCC)c1n[nH]nc1F
InChIInChI=1S/C15H28FN3/c1-3-5-7-9-11-13(12-10-8-6-4-2)14-15(16)18-19-17-14/h13H,3-12H2,1-2H3,(H,17,18,19)
InChIKeyICXNERZSFTVNPZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.97
Rot. Bonds11

About 4-fluoro-5-tridecan-7-yl-2H-triazole

4-fluoro-5-tridecan-7-yl-2H-triazole (PubChem CID 130311206) has the molecular formula C15H28FN3 and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-fluoro-5-tridecan-7-yl-2H-triazole.

Molecular Properties

Compound Name4-fluoro-5-tridecan-7-yl-2H-triazole
PubChem CID130311206
Molecular FormulaC15H28FN3
Molecular Weight269.41 g/mol
Exact Mass269.23
IUPAC Name4-fluoro-5-tridecan-7-yl-2H-triazole
SMILESCCCCCCC(CCCCCC)c1n[nH]nc1F
InChIInChI=1S/C15H28FN3/c1-3-5-7-9-11-13(12-10-8-6-4-2)14-15(16)18-19-17-14/h13H,3-12H2,1-2H3,(H,17,18,19)
InChIKeyICXNERZSFTVNPZ-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-tridecan-7-ylpyrazine
CID 129212900
1-(1-chlorododecan-2-yl)-4-fluorobenzene
CID 79437415
3-tridecan-7-yl-1,2-oxazol-4-amine
CID 155010814
5-tridecan-7-yl-1,2-oxazole
CID 129119841
5-tridecan-7-yl-1H-pyrazole
CID 126625738
4-ethyl-3-undecan-5-yl-1,2-oxazole
CID 155322421
2-tetradecan-7-yl-1,3,4-oxadiazole
CID 129156165
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
3-dodecan-5-yl-4-fluoropyridine
CID 130271983
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
heptatriacontan-19-ylazanium
CID 22345110
henicosan-11-ylazanium
CID 22645794

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-tridecan-7-yl-2H-triazole?
The IUPAC name of 4-fluoro-5-tridecan-7-yl-2H-triazole (CID 130311206) is 4-fluoro-5-tridecan-7-yl-2H-triazole.
What is the SMILES notation for 4-fluoro-5-tridecan-7-yl-2H-triazole?
The canonical SMILES for 4-fluoro-5-tridecan-7-yl-2H-triazole is CCCCCCC(CCCCCC)c1n[nH]nc1F.
What is the InChIKey of 4-fluoro-5-tridecan-7-yl-2H-triazole?
The InChIKey is ICXNERZSFTVNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3/c1-3-5-7-9-11-13(12-10-8-6-4-2)14-15(16)18-19-17-14/h13H,3-12H2,1-2H3,(H,17,18,19).
What are the key properties of 4-fluoro-5-tridecan-7-yl-2H-triazole?
4-fluoro-5-tridecan-7-yl-2H-triazole has a molecular weight of 269.41 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-tridecan-7-yl-2H-triazole is sourced from PubChem (CID 130311206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).