1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole

C12H14FN3O — CID 146397272

IUPAC1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
SMILESCOCc1ccc(-c2cn(CCF)nn2)cc1
InChIInChI=1S/C12H14FN3O/c1-17-9-10-2-4-11(5-3-10)12-8-16(7-6-13)15-14-12/h2-5,8H,6-7,9H2,1H3
InChIKeyIAWKICULLPVHSW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole

1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole (PubChem CID 146397272) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
PubChem CID146397272
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole
SMILESCOCc1ccc(-c2cn(CCF)nn2)cc1
InChIInChI=1S/C12H14FN3O/c1-17-9-10-2-4-11(5-3-10)12-8-16(7-6-13)15-14-12/h2-5,8H,6-7,9H2,1H3
InChIKeyIAWKICULLPVHSW-UHFFFAOYSA-N
XLogP2.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole?
The IUPAC name of 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole (CID 146397272) is 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole is COCc1ccc(-c2cn(CCF)nn2)cc1.
What is the InChIKey of 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole?
The InChIKey is IAWKICULLPVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-9-10-2-4-11(5-3-10)12-8-16(7-6-13)15-14-12/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole?
1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole has a molecular weight of 235.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-[4-(methoxymethyl)phenyl]triazole is sourced from PubChem (CID 146397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).