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

C10H10FN3O — CID 117167840

IUPAC1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol
SMILESCC(O)c1n[nH]nc1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-6,15H,1H3,(H,12,13,14)
InChIKeyXCIRZVWEFWDQNG-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.66
Rot. Bonds2

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

1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol (PubChem CID 117167840) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol
PubChem CID117167840
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol
SMILESCC(O)c1n[nH]nc1-c1ccc(F)cc1
InChIInChI=1S/C10H10FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-6,15H,1H3,(H,12,13,14)
InChIKeyXCIRZVWEFWDQNG-UHFFFAOYSA-N
XLogP1.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
CID 117167817
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanone
CID 117167849
4-phenyl-5-(1-phenylethyl)-2H-triazole
CID 102473636
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
1-[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82530419
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 100631385
4-(4-fluorophenyl)-5-(2,4,5-trimethoxyphenyl)-2H-triazole
CID 59430202
ethane;[3-fluoro-2-(4-fluorophenyl)-4-pyridinyl]methanol
CID 169264740
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol?
The IUPAC name of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol (CID 117167840) is 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol is CC(O)c1n[nH]nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol?
The InChIKey is XCIRZVWEFWDQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-6(15)9-10(13-14-12-9)7-2-4-8(11)5-3-7/h2-6,15H,1H3,(H,12,13,14).
What are the key properties of 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol?
1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol has a molecular weight of 207.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2H-triazol-4-yl]ethanol is sourced from PubChem (CID 117167840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).