2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

C17H13ClF3N3O — CID 21283724

IUPAC2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c18-14-8-4-2-6-12(14)15-22-16(24(23-15)9-10-25)11-5-1-3-7-13(11)17(19,20)21/h1-8,25H,9-10H2
InChIKeyBJKYVRBXBTVERS-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.28
Rot. Bonds4

About 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 21283724) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID21283724
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c18-14-8-4-2-6-12(14)15-22-16(24(23-15)9-10-25)11-5-1-3-7-13(11)17(19,20)21/h1-8,25H,9-10H2
InChIKeyBJKYVRBXBTVERS-UHFFFAOYSA-N
XLogP4.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (CID 21283724) is 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is OCCn1nc(-c2ccccc2Cl)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is BJKYVRBXBTVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c18-14-8-4-2-6-12(14)15-22-16(24(23-15)9-10-25)11-5-1-3-7-13(11)17(19,20)21/h1-8,25H,9-10H2.
What are the key properties of 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 367.76 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 21283724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).