1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol

C12H14FN3O — CID 114212982

IUPAC1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
SMILESCCn1nncc1C(C)(O)c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-11(8-14-15-16)12(2,17)9-5-4-6-10(13)7-9/h4-8,17H,3H2,1-2H3
InChIKeyGZQODWWNXLGCLJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol

1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 114212982) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
PubChem CID114212982
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
SMILESCCn1nncc1C(C)(O)c1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-3-16-11(8-14-15-16)12(2,17)9-5-4-6-10(13)7-9/h4-8,17H,3H2,1-2H3
InChIKeyGZQODWWNXLGCLJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114684630
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
CID 114872482
1-(3-bromophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114684581
1-(3-fluorophenyl)-2-(3-methyltriazol-4-yl)propan-2-ol
CID 114833392
1-(3-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787437
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
4-[1-hydroxy-1-(3-propyltriazol-4-yl)ethyl]benzonitrile
CID 114685333
1-(1-ethyl-4-methoxypyrazol-5-yl)-1-(3-fluorophenyl)propan-1-ol
CID 114872310
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
1-(4-fluoro-3-methylphenyl)-1-(3-fluorophenyl)ethanol
CID 62787951
1,1,1-trifluoro-4-(3-fluorophenyl)-2,4-dimethylpentan-2-ol
CID 173133106
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol (CID 114212982) is 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol is CCn1nncc1C(C)(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is GZQODWWNXLGCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-16-11(8-14-15-16)12(2,17)9-5-4-6-10(13)7-9/h4-8,17H,3H2,1-2H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol?
1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 235.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 114212982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).