3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol

C11H12FN3O2 — CID 69292296

IUPAC3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol
SMILESOc1ccc(COCCn2ccnn2)c(F)c1
InChIInChI=1S/C11H12FN3O2/c12-11-7-10(16)2-1-9(11)8-17-6-5-15-4-3-13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyCWEDDTQLIVURAH-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.34
Rot. Bonds5

About 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol

3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol (PubChem CID 69292296) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol
PubChem CID69292296
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol
SMILESOc1ccc(COCCn2ccnn2)c(F)c1
InChIInChI=1S/C11H12FN3O2/c12-11-7-10(16)2-1-9(11)8-17-6-5-15-4-3-13-14-15/h1-4,7,16H,5-6,8H2
InChIKeyCWEDDTQLIVURAH-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1,3-oxazole
CID 69292874
2-[2-(triazol-1-yl)ethoxy]acetic acid
CID 86079221
4-(aminooxymethyl)-3-fluorophenol
CID 117276067
4-(chloromethyl)-3-fluorophenol
CID 54246792
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
1-[(2-fluoro-4-nitrophenyl)methyl]triazole
CID 86816515
1-[2-[4-(trifluoromethyl)phenoxy]ethyl]triazole
CID 91661154
2-[(4-chloro-2-fluorophenyl)methoxy]ethyl-methylazanide
CID 155624791
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]triazole
CID 86816529
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
4-chloro-1-(2-ethoxyethoxymethyl)-2-fluorobenzene
CID 170255219

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol?
The IUPAC name of 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol (CID 69292296) is 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol?
The canonical SMILES for 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol is Oc1ccc(COCCn2ccnn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol?
The InChIKey is CWEDDTQLIVURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-11-7-10(16)2-1-9(11)8-17-6-5-15-4-3-13-14-15/h1-4,7,16H,5-6,8H2.
What are the key properties of 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol?
3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol has a molecular weight of 237.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(triazol-1-yl)ethoxymethyl]phenol is sourced from PubChem (CID 69292296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).