2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol

C13H14F3N3O — CID 59645325

IUPAC2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)(C)O
InChIInChI=1S/C13H14F3N3O/c1-8-11(12(2,3)20)18-19(17-8)10-6-4-9(5-7-10)13(14,15)16/h4-7,20H,1-3H3
InChIKeyJLNDBQCAQBWGFT-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.82
Rot. Bonds2

About 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol

2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol (PubChem CID 59645325) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
PubChem CID59645325
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)(C)O
InChIInChI=1S/C13H14F3N3O/c1-8-11(12(2,3)20)18-19(17-8)10-6-4-9(5-7-10)13(14,15)16/h4-7,20H,1-3H3
InChIKeyJLNDBQCAQBWGFT-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol (CID 59645325) is 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)(C)O.
What is the InChIKey of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The InChIKey is JLNDBQCAQBWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-11(12(2,3)20)18-19(17-8)10-6-4-9(5-7-10)13(14,15)16/h4-7,20H,1-3H3.
What are the key properties of 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol has a molecular weight of 285.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 59645325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).