1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol

C5H8FN3O — CID 57071623

IUPAC1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(O)n1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c1-4(10)9-3-7-5(2-6)8-9/h3-4,10H,2H2,1H3
InChIKeyAWIDFUJJSXDBNT-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.26
Rot. Bonds2

About 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol

1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 57071623) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID57071623
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol
SMILESCC(O)n1cnc(CF)n1
InChIInChI=1S/C5H8FN3O/c1-4(10)9-3-7-5(2-6)8-9/h3-4,10H,2H2,1H3
InChIKeyAWIDFUJJSXDBNT-UHFFFAOYSA-N
XLogP0.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol (CID 57071623) is 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol is CC(O)n1cnc(CF)n1.
What is the InChIKey of 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is AWIDFUJJSXDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-4(10)9-3-7-5(2-6)8-9/h3-4,10H,2H2,1H3.
What are the key properties of 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol?
1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 145.14 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 57071623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).