2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

C11H9F4N3O — CID 62399751

IUPAC2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(F)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C11H9F4N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18-6-7(3-4-19)16-17-18/h1-2,5-6,19H,3-4H2
InChIKeyDHJXOXBZBLGBGR-UHFFFAOYSA-N
MW275.20 g/mol
LogP1.96
Rot. Bonds3

About 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 62399751) has the molecular formula C11H9F4N3O and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID62399751
Molecular FormulaC11H9F4N3O
Molecular Weight275.20 g/mol
Exact Mass275.07
IUPAC Name2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESOCCc1cn(-c2ccc(F)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C11H9F4N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18-6-7(3-4-19)16-17-18/h1-2,5-6,19H,3-4H2
InChIKeyDHJXOXBZBLGBGR-UHFFFAOYSA-N
XLogP1.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 62399389
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
1-[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
CID 149920076
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 62401452
2-[1-[2,4-Dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 168288493
[1-[3,4-Bis(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 168289063
1H-1,2,3-Triazole, 4-(difluoromethyl)-1-(4-methylphenyl)-
CID 16074346
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 62399751) is 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is OCCc1cn(-c2ccc(F)c(C(F)(F)F)c2)nn1.
What is the InChIKey of 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is DHJXOXBZBLGBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18-6-7(3-4-19)16-17-18/h1-2,5-6,19H,3-4H2.
What are the key properties of 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 275.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62399751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).