1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

C12H12F3N3O2 — CID 75520357

IUPAC1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccccc1C(F)(F)F)Cn1cnnc1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)10-3-1-2-4-11(10)20-6-9(19)5-18-7-16-17-8-18/h1-4,7-9,19H,5-6H2
InChIKeyQVPILVUIEKBXIQ-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.74
Rot. Bonds5

About 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 75520357) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID75520357
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESOC(COc1ccccc1C(F)(F)F)Cn1cnnc1
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)10-3-1-2-4-11(10)20-6-9(19)5-18-7-16-17-8-18/h1-4,7-9,19H,5-6H2
InChIKeyQVPILVUIEKBXIQ-UHFFFAOYSA-N
XLogP1.74
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 30121905
1-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1,4-diazepan-5-one
CID 75520457
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
1-(1,2,4-triazol-4-yl)-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 110877250
carbamic acid;1-prop-2-ynoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 71436755
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
1-(oxolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 104753430
(2R)-1-phenyl-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 95147348
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (CID 75520357) is 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is OC(COc1ccccc1C(F)(F)F)Cn1cnnc1.
What is the InChIKey of 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is QVPILVUIEKBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)10-3-1-2-4-11(10)20-6-9(19)5-18-7-16-17-8-18/h1-4,7-9,19H,5-6H2.
What are the key properties of 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 287.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 75520357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).