1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole

C16H12ClF2N3 — CID 70502258

IUPAC1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole
SMILESFc1ccc(C(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2N3/c17-14-5-1-12(2-6-14)16(19,11-22-10-9-20-21-22)13-3-7-15(18)8-4-13/h1-10H,11H2
InChIKeyPWTZKHXKEAGKGR-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.98
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole

1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole (PubChem CID 70502258) has the molecular formula C16H12ClF2N3 and a molecular weight of 319.74 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole
PubChem CID70502258
Molecular FormulaC16H12ClF2N3
Molecular Weight319.74 g/mol
Exact Mass319.07
IUPAC Name1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole
SMILESFc1ccc(C(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2N3/c17-14-5-1-12(2-6-14)16(19,11-22-10-9-20-21-22)13-3-7-15(18)8-4-13/h1-10H,11H2
InChIKeyPWTZKHXKEAGKGR-UHFFFAOYSA-N
XLogP3.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.98
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-diphenylprop-2-enyl]triazole
CID 155512683
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)-2,3-diphenylprop-2-enyl]triazole
CID 155524316
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-(2,3-Diphenylpropyl)triazole
CID 155562191
1-[(4-Chlorophenyl)methyl]triazole
CID 15623736
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-Chloro-4-fluorophenyl)methyl]triazole
CID 86798909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole (CID 70502258) is 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole is Fc1ccc(C(F)(Cn2ccnn2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole?
The InChIKey is PWTZKHXKEAGKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3/c17-14-5-1-12(2-6-14)16(19,11-22-10-9-20-21-22)13-3-7-15(18)8-4-13/h1-10H,11H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole?
1-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]triazole has a molecular weight of 319.74 g/mol, XLogP of 3.98, 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-fluoro-2-(4-fluorophenyl)ethyl]triazole is sourced from PubChem (CID 70502258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).