1-(2-fluoroethyl)triazole-4-carbaldehyde

C5H6FN3O — CID 80698063

IUPAC1-(2-fluoroethyl)triazole-4-carbaldehyde
SMILESO=Cc1cn(CCF)nn1
InChIInChI=1S/C5H6FN3O/c6-1-2-9-3-5(4-10)7-8-9/h3-4H,1-2H2
InChIKeyRWBWTDDJJKNBMI-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.06
Rot. Bonds3

About 1-(2-fluoroethyl)triazole-4-carbaldehyde

1-(2-fluoroethyl)triazole-4-carbaldehyde (PubChem CID 80698063) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 1-(2-fluoroethyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluoroethyl)triazole-4-carbaldehyde
PubChem CID80698063
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name1-(2-fluoroethyl)triazole-4-carbaldehyde
SMILESO=Cc1cn(CCF)nn1
InChIInChI=1S/C5H6FN3O/c6-1-2-9-3-5(4-10)7-8-9/h3-4H,1-2H2
InChIKeyRWBWTDDJJKNBMI-UHFFFAOYSA-N
XLogP0.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-1,2,3-triazole-4-carboxaldehyde
CID 14313438
1-ethyl-1H-1,2,3-triazole-4-carbaldehyde
CID 14872466
1-(1-Methylethyl)-1H-1,2,3-triazole-4-carboxaldehyde
CID 14872467
1-tert-butyl-1H-1,2,3-triazole-4-carbaldehyde
CID 14872468
1-(2-hydroxyethyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 10080494
1-Methyl-1H-1,2,3-triazole-5-carbaldehyde
CID 21187507
1-propyl-1H-1,2,3-triazole-4-carbaldehyde
CID 66213586
1-(2,2,2-Trifluoroethyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 66213782
1-(2-methylpropyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 66215569
1-(2-hydroxybutyl)-1H-1,2,3-triazole-4-carbaldehyde
CID 66216382
1-cyclohexyl-1H-1,2,3-triazole-4-carbaldehyde
CID 66216568
1-ethyl-1H-1,2,3-triazole-5-carbaldehyde
CID 72218191

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)triazole-4-carbaldehyde?
The IUPAC name of 1-(2-fluoroethyl)triazole-4-carbaldehyde (CID 80698063) is 1-(2-fluoroethyl)triazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-fluoroethyl)triazole-4-carbaldehyde?
The canonical SMILES for 1-(2-fluoroethyl)triazole-4-carbaldehyde is O=Cc1cn(CCF)nn1.
What is the InChIKey of 1-(2-fluoroethyl)triazole-4-carbaldehyde?
The InChIKey is RWBWTDDJJKNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c6-1-2-9-3-5(4-10)7-8-9/h3-4H,1-2H2.
What are the key properties of 1-(2-fluoroethyl)triazole-4-carbaldehyde?
1-(2-fluoroethyl)triazole-4-carbaldehyde has a molecular weight of 143.12 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)triazole-4-carbaldehyde is sourced from PubChem (CID 80698063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).