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

C10H10FN3O — CID 65362826

IUPAC2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyLCUBKPXLLURNBT-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.22
Rot. Bonds3

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

2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 65362826) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID65362826
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1ccc(F)cc1)c1ncn[nH]1
InChIInChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14)
InChIKeyLCUBKPXLLURNBT-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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Related Compounds

2-(4-iodophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65479320
2-(4-ethylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363176
2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 82920324
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 65363109
2-(4-fluorophenyl)-1-pyrimidin-2-ylethanol
CID 60798851
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
1-fluoro-2-(4-fluorophenyl)ethanol
CID 67526233
1-(4-fluorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 114829427
(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-ol
CID 20841532
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
(1S)-2-(4-fluorophenyl)-1-pyridin-3-ylethanol
CID 93312266

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 65362826) is 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1ccc(F)cc1)c1ncn[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is LCUBKPXLLURNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-3-1-7(2-4-8)5-9(15)10-12-6-13-14-10/h1-4,6,9,15H,5H2,(H,12,13,14).
What are the key properties of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(4-fluorophenyl)-1-(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 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 65362826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).