2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol

C5H8FN3O — CID 59330633

IUPAC2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1cnc(C(O)CF)n1
InChIInChI=1S/C5H8FN3O/c1-9-3-7-5(8-9)4(10)2-6/h3-4,10H,2H2,1H3
InChIKeyJDYUEQMERIQZAF-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.18
Rot. Bonds2

About 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol

2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 59330633) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
PubChem CID59330633
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1cnc(C(O)CF)n1
InChIInChI=1S/C5H8FN3O/c1-9-3-7-5(8-9)4(10)2-6/h3-4,10H,2H2,1H3
InChIKeyJDYUEQMERIQZAF-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol (CID 59330633) is 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol is Cn1cnc(C(O)CF)n1.
What is the InChIKey of 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is JDYUEQMERIQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-9-3-7-5(8-9)4(10)2-6/h3-4,10H,2H2,1H3.
What are the key properties of 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol?
2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 145.14 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 59330633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).