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

C11H8Cl2F3N3O — CID 146437882

IUPAC1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1
InChIInChI=1S/C11H8Cl2F3N3O/c1-5(20)7-4-19(18-17-7)8-3-2-6(12)9(10(8)13)11(14,15)16/h2-5,20H,1H3
InChIKeyCUDPDIOOTNQGSZ-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.65
Rot. Bonds2

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

1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 146437882) has the molecular formula C11H8Cl2F3N3O and a molecular weight of 326.11 g/mol. Its IUPAC name is 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID146437882
Molecular FormulaC11H8Cl2F3N3O
Molecular Weight326.11 g/mol
Exact Mass325.00
IUPAC Name1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1
InChIInChI=1S/C11H8Cl2F3N3O/c1-5(20)7-4-19(18-17-7)8-3-2-6(12)9(10(8)13)11(14,15)16/h2-5,20H,1H3
InChIKeyCUDPDIOOTNQGSZ-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol 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 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 146437882) is 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is CC(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2Cl)nn1.
What is the InChIKey of 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is CUDPDIOOTNQGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O/c1-5(20)7-4-19(18-17-7)8-3-2-6(12)9(10(8)13)11(14,15)16/h2-5,20H,1H3.
What are the key properties of 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 326.11 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 146437882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).