4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole

C16H11Cl3FN3 — CID 70502518

IUPAC4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole
SMILESFC(Cc1cn[nH]n1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FN3/c17-11-3-1-10(2-4-11)16(20,8-13-9-21-23-22-13)14-6-5-12(18)7-15(14)19/h1-7,9H,8H2,(H,21,22,23)
InChIKeyZDCSECYEXHPXLM-UHFFFAOYSA-N
MW370.64 g/mol
LogP5.22
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole

4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole (PubChem CID 70502518) has the molecular formula C16H11Cl3FN3 and a molecular weight of 370.64 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole
PubChem CID70502518
Molecular FormulaC16H11Cl3FN3
Molecular Weight370.64 g/mol
Exact Mass369.00
IUPAC Name4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole
SMILESFC(Cc1cn[nH]n1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FN3/c17-11-3-1-10(2-4-11)16(20,8-13-9-21-23-22-13)14-6-5-12(18)7-15(14)19/h1-7,9H,8H2,(H,21,22,23)
InChIKeyZDCSECYEXHPXLM-UHFFFAOYSA-N
XLogP5.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole (CID 70502518) is 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole is FC(Cc1cn[nH]n1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole?
The InChIKey is ZDCSECYEXHPXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FN3/c17-11-3-1-10(2-4-11)16(20,8-13-9-21-23-22-13)14-6-5-12(18)7-15(14)19/h1-7,9H,8H2,(H,21,22,23).
What are the key properties of 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole?
4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole has a molecular weight of 370.64 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]-2H-triazole is sourced from PubChem (CID 70502518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).