1-benzyl-4-fluorotriazole

C9H8FN3 — CID 102109152

IUPAC1-benzyl-4-fluorotriazole
SMILESFc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H8FN3/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyCKNWDRDILBIXDJ-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.47
Rot. Bonds2

About 1-benzyl-4-fluorotriazole

1-benzyl-4-fluorotriazole (PubChem CID 102109152) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 1-benzyl-4-fluorotriazole.

Molecular Properties

Compound Name1-benzyl-4-fluorotriazole
PubChem CID102109152
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name1-benzyl-4-fluorotriazole
SMILESFc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C9H8FN3/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyCKNWDRDILBIXDJ-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

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Related Compounds

1,4-dibenzyltriazole
CID 56663361
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-benzyltriazole-4-carbonyl chloride
CID 87720228
1-benzyl-4-phenylselanyltriazole
CID 102453172
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
1-benzyl-4-[2-(3,4-difluorophenyl)ethyl]triazole
CID 112719016
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
1-benzyl-4-(2-phenylethynyl)triazole
CID 71424297
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
(1-benzyltriazol-4-yl)-phenyldiazene
CID 162418211
tris(1-benzyltriazol-4-yl)methoxyphosphane
CID 70803193
1-(1-benzyltriazol-4-yl)-N,N-bis[1-(1-benzyltriazol-4-yl)ethyl]ethanamine
CID 175127031

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-fluorotriazole?
The IUPAC name of 1-benzyl-4-fluorotriazole (CID 102109152) is 1-benzyl-4-fluorotriazole.
What is the SMILES notation for 1-benzyl-4-fluorotriazole?
The canonical SMILES for 1-benzyl-4-fluorotriazole is Fc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-4-fluorotriazole?
The InChIKey is CKNWDRDILBIXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-9-7-13(12-11-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 1-benzyl-4-fluorotriazole?
1-benzyl-4-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-4-fluorotriazole is sourced from PubChem (CID 102109152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).