1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol

C10H10FN3O — CID 174891789

IUPAC1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)9(15)5-10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyCRPZOFFMHRCRIO-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.22
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol

1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 174891789) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID174891789
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)9(15)5-10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyCRPZOFFMHRCRIO-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol (CID 174891789) is 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1ncn[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is CRPZOFFMHRCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)9(15)5-10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14).
What are the key properties of 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol?
1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 207.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 174891789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).