4-(2-fluoroethyl)-2H-triazole

C4H6FN3 — CID 54306953

IUPAC4-(2-fluoroethyl)-2H-triazole
SMILESFCCc1cn[nH]n1
InChIInChI=1S/C4H6FN3/c5-2-1-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8)
InChIKeyNDAYHCIRVLTGBL-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.32
Rot. Bonds2

About 4-(2-fluoroethyl)-2H-triazole

4-(2-fluoroethyl)-2H-triazole (PubChem CID 54306953) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-fluoroethyl)-2H-triazole
PubChem CID54306953
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name4-(2-fluoroethyl)-2H-triazole
SMILESFCCc1cn[nH]n1
InChIInChI=1S/C4H6FN3/c5-2-1-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8)
InChIKeyNDAYHCIRVLTGBL-UHFFFAOYSA-N
XLogP0.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
4-(2-chloroethyl)-1H-1,2,3-triazole hydrochloride
CID 69955929
4-(1,1,2,2,3,3-Hexafluoropropyl)-2h-[1,2,3]triazole
CID 129793612
4-ethyl-2H-1,2,3-Triazole
CID 14794987
Propyltriazole
CID 14794988
Butyl triazole
CID 14794989
5-(tert-Butyl)-1H-1,2,3-triazole
CID 20507674
Triazolyl-acetonitrile
CID 33778517
Allyltriazole
CID 53661607
Propargyltriazole
CID 57461868
4-(2-chloroethyl)-1H-1,2,3-triazole
CID 62400655
5-Ethyl-1-fluorotriazole
CID 22506918

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-2H-triazole?
The IUPAC name of 4-(2-fluoroethyl)-2H-triazole (CID 54306953) is 4-(2-fluoroethyl)-2H-triazole.
What is the SMILES notation for 4-(2-fluoroethyl)-2H-triazole?
The canonical SMILES for 4-(2-fluoroethyl)-2H-triazole is FCCc1cn[nH]n1.
What is the InChIKey of 4-(2-fluoroethyl)-2H-triazole?
The InChIKey is NDAYHCIRVLTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c5-2-1-4-3-6-8-7-4/h3H,1-2H2,(H,6,7,8).
What are the key properties of 4-(2-fluoroethyl)-2H-triazole?
4-(2-fluoroethyl)-2H-triazole has a molecular weight of 115.11 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-2H-triazole is sourced from PubChem (CID 54306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).