4-(2-fluoroethyl)-1-hexyltriazole

C10H18FN3 — CID 126487868

IUPAC4-(2-fluoroethyl)-1-hexyltriazole
SMILESCCCCCCn1cc(CCF)nn1
InChIInChI=1S/C10H18FN3/c1-2-3-4-5-8-14-9-10(6-7-11)12-13-14/h9H,2-8H2,1H3
InChIKeyQHGJYLDIZPDYPB-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.37
Rot. Bonds7

About 4-(2-fluoroethyl)-1-hexyltriazole

4-(2-fluoroethyl)-1-hexyltriazole (PubChem CID 126487868) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-1-hexyltriazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-1-hexyltriazole
PubChem CID126487868
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name4-(2-fluoroethyl)-1-hexyltriazole
SMILESCCCCCCn1cc(CCF)nn1
InChIInChI=1S/C10H18FN3/c1-2-3-4-5-8-14-9-10(6-7-11)12-13-14/h9H,2-8H2,1H3
InChIKeyQHGJYLDIZPDYPB-UHFFFAOYSA-N
XLogP2.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-fluoroethyl)-1-hexyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
CID 151830008
8-(4-Butyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
CID 152122653
1-(3-Methylbut-2-enyl)-4-pentyltriazole
CID 145979958
1-(3-Methylbut-2-enyl)-4-propyltriazole
CID 145988656
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-propyltriazole
CID 145988905
1-(3-Methylbut-2-enyl)-4-octyltriazole
CID 145988988
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-propyltriazole
CID 145991671
N-[2-(1-ethyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 155545712
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Dodecyl-1-ethyltriazole
CID 177693236
4-Dodecyl-1-propyltriazole
CID 177693238
4-Butyl-1-(1,1,2,3,3,3-hexafluoropropyl)triazole
CID 134909816

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-1-hexyltriazole?
The IUPAC name of 4-(2-fluoroethyl)-1-hexyltriazole (CID 126487868) is 4-(2-fluoroethyl)-1-hexyltriazole.
What is the SMILES notation for 4-(2-fluoroethyl)-1-hexyltriazole?
The canonical SMILES for 4-(2-fluoroethyl)-1-hexyltriazole is CCCCCCn1cc(CCF)nn1.
What is the InChIKey of 4-(2-fluoroethyl)-1-hexyltriazole?
The InChIKey is QHGJYLDIZPDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-2-3-4-5-8-14-9-10(6-7-11)12-13-14/h9H,2-8H2,1H3.
What are the key properties of 4-(2-fluoroethyl)-1-hexyltriazole?
4-(2-fluoroethyl)-1-hexyltriazole has a molecular weight of 199.27 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-1-hexyltriazole is sourced from PubChem (CID 126487868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).