4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole

C8H14FN3O — CID 171649241

IUPAC4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(COCCF)nn1
InChIInChI=1S/C8H14FN3O/c1-7(2)12-5-8(10-11-12)6-13-4-3-9/h5,7H,3-4,6H2,1-2H3
InChIKeyQFYXBGQNHGTIEM-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.35
Rot. Bonds5

About 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole

4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole (PubChem CID 171649241) has the molecular formula C8H14FN3O and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole
PubChem CID171649241
Molecular FormulaC8H14FN3O
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole
SMILESCC(C)n1cc(COCCF)nn1
InChIInChI=1S/C8H14FN3O/c1-7(2)12-5-8(10-11-12)6-13-4-3-9/h5,7H,3-4,6H2,1-2H3
InChIKeyQFYXBGQNHGTIEM-UHFFFAOYSA-N
XLogP1.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole?
The IUPAC name of 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole (CID 171649241) is 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole.
What is the SMILES notation for 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole?
The canonical SMILES for 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole is CC(C)n1cc(COCCF)nn1.
What is the InChIKey of 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole?
The InChIKey is QFYXBGQNHGTIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3O/c1-7(2)12-5-8(10-11-12)6-13-4-3-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole?
4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole has a molecular weight of 187.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxymethyl)-1-propan-2-yltriazole is sourced from PubChem (CID 171649241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).