[5-fluoro-2-(triazol-2-yl)phenyl]methanol

C9H8FN3O — CID 118425685

IUPAC[5-fluoro-2-(triazol-2-yl)phenyl]methanol
SMILESOCc1cc(F)ccc1-n1nccn1
InChIInChI=1S/C9H8FN3O/c10-8-1-2-9(7(5-8)6-14)13-11-3-4-12-13/h1-5,14H,6H2
InChIKeyLUWYPZQSGFDSFJ-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.90
Rot. Bonds2

About [5-fluoro-2-(triazol-2-yl)phenyl]methanol

[5-fluoro-2-(triazol-2-yl)phenyl]methanol (PubChem CID 118425685) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is [5-fluoro-2-(triazol-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(triazol-2-yl)phenyl]methanol
PubChem CID118425685
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name[5-fluoro-2-(triazol-2-yl)phenyl]methanol
SMILESOCc1cc(F)ccc1-n1nccn1
InChIInChI=1S/C9H8FN3O/c10-8-1-2-9(7(5-8)6-14)13-11-3-4-12-13/h1-5,14H,6H2
InChIKeyLUWYPZQSGFDSFJ-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(triazol-2-yl)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(triazol-2-yl)phenyl]methanol (CID 118425685) is [5-fluoro-2-(triazol-2-yl)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(triazol-2-yl)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(triazol-2-yl)phenyl]methanol is OCc1cc(F)ccc1-n1nccn1.
What is the InChIKey of [5-fluoro-2-(triazol-2-yl)phenyl]methanol?
The InChIKey is LUWYPZQSGFDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-8-1-2-9(7(5-8)6-14)13-11-3-4-12-13/h1-5,14H,6H2.
What are the key properties of [5-fluoro-2-(triazol-2-yl)phenyl]methanol?
[5-fluoro-2-(triazol-2-yl)phenyl]methanol has a molecular weight of 193.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(triazol-2-yl)phenyl]methanol is sourced from PubChem (CID 118425685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).