1-benzyl-5-fluorotriazole

C9H8FN3 — CID 130625121

IUPAC1-benzyl-5-fluorotriazole
SMILESFc1cnnn1Cc1ccccc1
InChIInChI=1S/C9H8FN3/c10-9-6-11-12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyQXTDLERARSPBHK-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.47
Rot. Bonds2

About 1-benzyl-5-fluorotriazole

1-benzyl-5-fluorotriazole (PubChem CID 130625121) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-benzyl-5-fluorotriazole.

Molecular Properties

Compound Name1-benzyl-5-fluorotriazole
PubChem CID130625121
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name1-benzyl-5-fluorotriazole
SMILESFc1cnnn1Cc1ccccc1
InChIInChI=1S/C9H8FN3/c10-9-6-11-12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyQXTDLERARSPBHK-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-5-fluorotriazole 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

1-(3-Trifluoromethylphenyl)-1H-1,2,3-triazole
CID 13106122
4-[(1H-1,2,3-Triazol-1-yl)methyl]benzonitrile
CID 14196997
(2R)-4-(triazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 149501863
1-Benzhydryltriazole
CID 23220724
1-Benzyl-4-hexyl-triazole
CID 54772019
1-benzyl-4-(bromomethyl)-1H-1,2,3-triazole
CID 323376
4-[(4-Cyanophenyl)-fluoro-(triazol-1-yl)methyl]benzonitrile
CID 9948368
1-[(Z)-2,3-diphenylprop-2-enyl]triazole
CID 155512683
1-[(E)-2,3-diphenylprop-2-enyl]triazole
CID 155524316
1-(2,3-Diphenylpropyl)triazole
CID 155562191
1-Benzyl-4-decyl-1H-1,2,3-triazole
CID 46204132
1-[(4-Chlorophenyl)methyl]triazole
CID 15623736

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-fluorotriazole?
The IUPAC name of 1-benzyl-5-fluorotriazole (CID 130625121) is 1-benzyl-5-fluorotriazole.
What is the SMILES notation for 1-benzyl-5-fluorotriazole?
The canonical SMILES for 1-benzyl-5-fluorotriazole is Fc1cnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-fluorotriazole?
The InChIKey is QXTDLERARSPBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-9-6-11-12-13(9)7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 1-benzyl-5-fluorotriazole?
1-benzyl-5-fluorotriazole has a molecular weight of 177.18 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-fluorotriazole is sourced from PubChem (CID 130625121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).