5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol

C13H14F3N3O — CID 105120646

IUPAC5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-4-7-12(20)11-9-17-19(18-11)10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2
InChIKeyCTBRDCSNEAIREU-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.03
Rot. Bonds5

About 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol

5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol (PubChem CID 105120646) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol
PubChem CID105120646
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)8-4-7-12(20)11-9-17-19(18-11)10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2
InChIKeyCTBRDCSNEAIREU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-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 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol (CID 105120646) is 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol is OC(CCCC(F)(F)F)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The InChIKey is CTBRDCSNEAIREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)8-4-7-12(20)11-9-17-19(18-11)10-5-2-1-3-6-10/h1-3,5-6,9,12,20H,4,7-8H2.
What are the key properties of 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol?
5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol has a molecular weight of 285.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-phenyltriazol-4-yl)pentan-1-ol is sourced from PubChem (CID 105120646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).