4-(3-fluorophenyl)-1-(methoxymethoxy)triazole

C10H10FN3O2 — CID 166845266

IUPAC4-(3-fluorophenyl)-1-(methoxymethoxy)triazole
SMILESCOCOn1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C10H10FN3O2/c1-15-7-16-14-6-10(12-13-14)8-3-2-4-9(11)5-8/h2-6H,7H2,1H3
InChIKeyNQXHUUSOCJEXOK-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.12
Rot. Bonds4

About 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole

4-(3-fluorophenyl)-1-(methoxymethoxy)triazole (PubChem CID 166845266) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1-(methoxymethoxy)triazole
PubChem CID166845266
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name4-(3-fluorophenyl)-1-(methoxymethoxy)triazole
SMILESCOCOn1cc(-c2cccc(F)c2)nn1
InChIInChI=1S/C10H10FN3O2/c1-15-7-16-14-6-10(12-13-14)8-3-2-4-9(11)5-8/h2-6H,7H2,1H3
InChIKeyNQXHUUSOCJEXOK-UHFFFAOYSA-N
XLogP1.12
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;4-(3-fluorophenyl)-1-propyltriazole
CID 155708968
1-(3-fluorophenyl)-4-(3-methoxyphenyl)triazole
CID 155276348
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
4-bromo-6-(3-fluorophenyl)-3-methoxypyridazine
CID 117107017
1-(dimethylamino)-3-[4-(3-fluorophenyl)triazol-1-yl]-1-[2-hydroxy-1-[hydroxy(methyl)amino]ethoxy]propan-2-ol
CID 142471983
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
5-[4-(3-fluorophenyl)triazol-1-yl]oxan-3-amine
CID 157041280
diethyl-[4-(3-fluorophenyl)phenyl]-methoxysilane
CID 90170463
2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
CID 115404113
N-[[3-(3-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79492167

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole?
The IUPAC name of 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole (CID 166845266) is 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole.
What is the SMILES notation for 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole?
The canonical SMILES for 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole is COCOn1cc(-c2cccc(F)c2)nn1.
What is the InChIKey of 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole?
The InChIKey is NQXHUUSOCJEXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-15-7-16-14-6-10(12-13-14)8-3-2-4-9(11)5-8/h2-6H,7H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole?
4-(3-fluorophenyl)-1-(methoxymethoxy)triazole has a molecular weight of 223.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1-(methoxymethoxy)triazole is sourced from PubChem (CID 166845266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).