2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol

C12H11ClF3N3O — CID 78319202

IUPAC2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H11ClF3N3O/c1-11(2,20)10-6-19(18-17-10)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,20H,1-2H3
InChIKeyGVJAYGCCKFHJBX-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.17
Rot. Bonds2

About 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol

2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol (PubChem CID 78319202) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
PubChem CID78319202
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1
InChIInChI=1S/C12H11ClF3N3O/c1-11(2,20)10-6-19(18-17-10)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,20H,1-2H3
InChIKeyGVJAYGCCKFHJBX-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol (CID 78319202) is 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1.
What is the InChIKey of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
The InChIKey is GVJAYGCCKFHJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-11(2,20)10-6-19(18-17-10)7-3-4-9(13)8(5-7)12(14,15)16/h3-6,20H,1-2H3.
What are the key properties of 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol?
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol has a molecular weight of 305.69 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 78319202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).