3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol

C13H14F3N3O — CID 134860578

IUPAC3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2)c1CC(F)(F)F
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)9-11-12(10-5-2-1-3-6-10)17-18-19(11)7-4-8-20/h1-3,5-6,20H,4,7-9H2
InChIKeyZRECDNXIVGIXBS-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.43
Rot. Bonds5

About 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol

3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol (PubChem CID 134860578) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
PubChem CID134860578
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
SMILESOCCCn1nnc(-c2ccccc2)c1CC(F)(F)F
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)9-11-12(10-5-2-1-3-6-10)17-18-19(11)7-4-8-20/h1-3,5-6,20H,4,7-9H2
InChIKeyZRECDNXIVGIXBS-UHFFFAOYSA-N
XLogP2.43
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol (CID 134860578) is 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol is OCCCn1nnc(-c2ccccc2)c1CC(F)(F)F.
What is the InChIKey of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol?
The InChIKey is ZRECDNXIVGIXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)9-11-12(10-5-2-1-3-6-10)17-18-19(11)7-4-8-20/h1-3,5-6,20H,4,7-9H2.
What are the key properties of 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol?
3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol has a molecular weight of 285.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 134860578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).