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

C16H12ClF2N3 — CID 70502260

IUPAC4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole
SMILESFc1ccc(C(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2N3/c17-13-5-1-11(2-6-13)16(19,9-15-10-20-22-21-15)12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,20,21,22)
InChIKeyCAZIUQMDEURMBX-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.05
Rot. Bonds4

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

4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole (PubChem CID 70502260) has the molecular formula C16H12ClF2N3 and a molecular weight of 319.74 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole
PubChem CID70502260
Molecular FormulaC16H12ClF2N3
Molecular Weight319.74 g/mol
Exact Mass319.07
IUPAC Name4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole
SMILESFc1ccc(C(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H12ClF2N3/c17-13-5-1-11(2-6-13)16(19,9-15-10-20-22-21-15)12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,20,21,22)
InChIKeyCAZIUQMDEURMBX-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-1H-1,2,3-triazole
CID 601577
4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole
CID 155559375
4-[4-chloro-3-(trifluoromethyl)phenyl]-2H-triazole
CID 146425065
4-[5-chloro-2-(2-phenylethyl)phenyl]-2H-triazole
CID 155548177
4-[3-chloro-2-[(E)-2-phenylethenyl]phenyl]-2H-triazole
CID 155556964
4-Fluoro-2-chlorophenyl triazole
CID 138455217
4-(4-Chlorophenyl)-1,2,3-triazolylamine
CID 13925380
4-[1,1-bis(4-chlorophenyl)-1-fluoropropan-2-yl]-2H-triazole
CID 70461758
4-[2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylsulfanyl]-2-fluoropropyl]-2H-triazole
CID 70501736
4-[2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-2-fluoropropyl]-2H-triazole
CID 70501768
4-[2-(4-chlorophenyl)-2-fluoro-3-(2H-triazol-4-yl)propyl]-2H-triazole
CID 70502062
4-[2-(4-chlorophenyl)-3-ethylsulfanyl-2-fluoropropyl]-2H-triazole
CID 70502252

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole (CID 70502260) is 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole is Fc1ccc(C(F)(Cc2cn[nH]n2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole?
The InChIKey is CAZIUQMDEURMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3/c17-13-5-1-11(2-6-13)16(19,9-15-10-20-22-21-15)12-3-7-14(18)8-4-12/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole?
4-[2-(4-chlorophenyl)-2-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole has a molecular weight of 319.74 g/mol, XLogP of 4.05, 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-fluoro-2-(4-fluorophenyl)ethyl]-2H-triazole is sourced from PubChem (CID 70502260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).