1-(2-fluorophenyl)-5-(methoxymethyl)triazole

C10H10FN3O — CID 141130395

IUPAC1-(2-fluorophenyl)-5-(methoxymethyl)triazole
SMILESCOCc1cnnn1-c1ccccc1F
InChIInChI=1S/C10H10FN3O/c1-15-7-8-6-12-13-14(8)10-5-3-2-4-9(10)11/h2-6H,7H2,1H3
InChIKeyJMNVTVHTGLFJCP-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-fluorophenyl)-5-(methoxymethyl)triazole

1-(2-fluorophenyl)-5-(methoxymethyl)triazole (PubChem CID 141130395) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(methoxymethyl)triazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(methoxymethyl)triazole
PubChem CID141130395
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-(2-fluorophenyl)-5-(methoxymethyl)triazole
SMILESCOCc1cnnn1-c1ccccc1F
InChIInChI=1S/C10H10FN3O/c1-15-7-8-6-12-13-14(8)10-5-3-2-4-9(10)11/h2-6H,7H2,1H3
InChIKeyJMNVTVHTGLFJCP-UHFFFAOYSA-N
XLogP1.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(methoxymethyl)triazole?
The IUPAC name of 1-(2-fluorophenyl)-5-(methoxymethyl)triazole (CID 141130395) is 1-(2-fluorophenyl)-5-(methoxymethyl)triazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(methoxymethyl)triazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-(methoxymethyl)triazole is COCc1cnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-(methoxymethyl)triazole?
The InChIKey is JMNVTVHTGLFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-15-7-8-6-12-13-14(8)10-5-3-2-4-9(10)11/h2-6H,7H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-5-(methoxymethyl)triazole?
1-(2-fluorophenyl)-5-(methoxymethyl)triazole has a molecular weight of 207.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(methoxymethyl)triazole is sourced from PubChem (CID 141130395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).