1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole

C14H16FN3O2 — CID 69293826

IUPAC1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole
SMILESC=CCOc1ccc(COCCn2ccnn2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-8-20-13-4-3-12(14(15)10-13)11-19-9-7-18-6-5-16-17-18/h2-6,10H,1,7-9,11H2
InChIKeyCNMGRFHRVRAZAB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.20
Rot. Bonds8

About 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole

1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole (PubChem CID 69293826) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole.

Molecular Properties

Compound Name1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole
PubChem CID69293826
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole
SMILESC=CCOc1ccc(COCCn2ccnn2)c(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-8-20-13-4-3-12(14(15)10-13)11-19-9-7-18-6-5-16-17-18/h2-6,10H,1,7-9,11H2
InChIKeyCNMGRFHRVRAZAB-UHFFFAOYSA-N
XLogP2.20
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole?
The IUPAC name of 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole (CID 69293826) is 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole.
What is the SMILES notation for 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole?
The canonical SMILES for 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole is C=CCOc1ccc(COCCn2ccnn2)c(F)c1.
What is the InChIKey of 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole?
The InChIKey is CNMGRFHRVRAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-8-20-13-4-3-12(14(15)10-13)11-19-9-7-18-6-5-16-17-18/h2-6,10H,1,7-9,11H2.
What are the key properties of 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole?
1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole has a molecular weight of 277.30 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluoro-4-prop-2-enoxyphenyl)methoxy]ethyl]triazole is sourced from PubChem (CID 69293826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).