2-fluoro-3-(2H-triazol-4-yl)phenol

C8H6FN3O — CID 173291871

IUPAC2-fluoro-3-(2H-triazol-4-yl)phenol
SMILESOc1cccc(-c2cn[nH]n2)c1F
InChIInChI=1S/C8H6FN3O/c9-8-5(2-1-3-7(8)13)6-4-10-12-11-6/h1-4,13H,(H,10,11,12)
InChIKeyUSIRQHJQURXWBH-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.32
Rot. Bonds1

About 2-fluoro-3-(2H-triazol-4-yl)phenol

2-fluoro-3-(2H-triazol-4-yl)phenol (PubChem CID 173291871) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-fluoro-3-(2H-triazol-4-yl)phenol.

Molecular Properties

Compound Name2-fluoro-3-(2H-triazol-4-yl)phenol
PubChem CID173291871
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-fluoro-3-(2H-triazol-4-yl)phenol
SMILESOc1cccc(-c2cn[nH]n2)c1F
InChIInChI=1S/C8H6FN3O/c9-8-5(2-1-3-7(8)13)6-4-10-12-11-6/h1-4,13H,(H,10,11,12)
InChIKeyUSIRQHJQURXWBH-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2H-triazol-4-yl)phenol?
The IUPAC name of 2-fluoro-3-(2H-triazol-4-yl)phenol (CID 173291871) is 2-fluoro-3-(2H-triazol-4-yl)phenol.
What is the SMILES notation for 2-fluoro-3-(2H-triazol-4-yl)phenol?
The canonical SMILES for 2-fluoro-3-(2H-triazol-4-yl)phenol is Oc1cccc(-c2cn[nH]n2)c1F.
What is the InChIKey of 2-fluoro-3-(2H-triazol-4-yl)phenol?
The InChIKey is USIRQHJQURXWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-8-5(2-1-3-7(8)13)6-4-10-12-11-6/h1-4,13H,(H,10,11,12).
What are the key properties of 2-fluoro-3-(2H-triazol-4-yl)phenol?
2-fluoro-3-(2H-triazol-4-yl)phenol has a molecular weight of 179.15 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2H-triazol-4-yl)phenol is sourced from PubChem (CID 173291871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).