1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole

C16H11Cl3FN3 — CID 70502517

IUPAC1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole
SMILESFC(Cn1ccnn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FN3/c17-12-3-1-11(2-4-12)16(20,10-23-8-7-21-22-23)14-6-5-13(18)9-15(14)19/h1-9H,10H2
InChIKeyWPEZVDUAXGPLIQ-UHFFFAOYSA-N
MW370.64 g/mol
LogP5.15
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole

1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole (PubChem CID 70502517) has the molecular formula C16H11Cl3FN3 and a molecular weight of 370.64 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole
PubChem CID70502517
Molecular FormulaC16H11Cl3FN3
Molecular Weight370.64 g/mol
Exact Mass369.00
IUPAC Name1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole
SMILESFC(Cn1ccnn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3FN3/c17-12-3-1-11(2-4-12)16(20,10-23-8-7-21-22-23)14-6-5-13(18)9-15(14)19/h1-9H,10H2
InChIKeyWPEZVDUAXGPLIQ-UHFFFAOYSA-N
XLogP5.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bis(4-chlorophenyl)methyl]-1H-1,2,3-triazole
CID 14390654
1-[(Z)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole
CID 155515111
1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole
CID 155523438
1-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enyl]triazole
CID 155532984
1-[(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enyl]triazole
CID 155558789
1-[(4-Chlorophenyl)methyl]triazole
CID 15623736
1-[2-(2,4-Dichlorophenyl)-2-[[1-(2,4-dichlorophenyl)-2-(triazol-1-yl)ethyl]diselanyl]ethyl]triazole
CID 172441579
1-[2-(4-Chlorophenyl)-2-[[1-(4-chlorophenyl)-2-(triazol-1-yl)ethyl]diselanyl]ethyl]triazole
CID 172444510
1-[2-(4-Chlorophenyl)-2-[1-(4-chlorophenyl)-2-(triazol-1-yl)ethyl]selanylethyl]triazole
CID 172457448
1-[2-(2,4-Dichlorophenyl)-2-[1-(2,4-dichlorophenyl)-2-(triazol-1-yl)ethyl]selanylethyl]triazole
CID 172469754
1-[(2-Chloro-4-fluorophenyl)methyl]triazole
CID 86798909
1-[1,1-Bis(4-chlorophenyl)-1-fluoropropan-2-yl]triazole
CID 20043659

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole (CID 70502517) is 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole is FC(Cn1ccnn1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole?
The InChIKey is WPEZVDUAXGPLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FN3/c17-12-3-1-11(2-4-12)16(20,10-23-8-7-21-22-23)14-6-5-13(18)9-15(14)19/h1-9H,10H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole?
1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole has a molecular weight of 370.64 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-2-fluoroethyl]triazole is sourced from PubChem (CID 70502517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).