3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol

C14H26FN3O — CID 122187947

IUPAC3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CCCCCCCCCF)nn1
InChIInChI=1S/C14H26FN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2
InChIKeyCALNAJZNKOJRTM-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.90
Rot. Bonds12

About 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol

3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol (PubChem CID 122187947) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol
PubChem CID122187947
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CCCCCCCCCF)nn1
InChIInChI=1S/C14H26FN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2
InChIKeyCALNAJZNKOJRTM-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol (CID 122187947) is 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol is OCCCc1cn(CCCCCCCCCF)nn1.
What is the InChIKey of 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol?
The InChIKey is CALNAJZNKOJRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c15-10-6-4-2-1-3-5-7-11-18-13-14(16-17-18)9-8-12-19/h13,19H,1-12H2.
What are the key properties of 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol?
3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol has a molecular weight of 271.38 g/mol, XLogP of 2.90, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9-fluorononyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 122187947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).