4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole

C15H12Cl2FN3S — CID 70505518

IUPAC4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole
SMILESFC(Cc1cn[nH]n1)(Cc1sccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3S/c16-11-3-1-10(2-4-11)15(18,7-12-9-19-21-20-12)8-14-13(17)5-6-22-14/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyXLYKOVWRUIQMHU-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.82
Rot. Bonds5

About 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole

4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole (PubChem CID 70505518) has the molecular formula C15H12Cl2FN3S and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole
PubChem CID70505518
Molecular FormulaC15H12Cl2FN3S
Molecular Weight356.25 g/mol
Exact Mass355.01
IUPAC Name4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole
SMILESFC(Cc1cn[nH]n1)(Cc1sccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3S/c16-11-3-1-10(2-4-11)15(18,7-12-9-19-21-20-12)8-14-13(17)5-6-22-14/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyXLYKOVWRUIQMHU-UHFFFAOYSA-N
XLogP4.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-methylthiophen-3-yl)propyl]-2H-triazole
CID 70501965
4-[2-(4-chlorophenyl)-2-fluoro-3-(2H-triazol-4-yl)propyl]-2H-triazole
CID 70502062
1-[2-(4-Chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole
CID 70502241
4-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]-2H-triazole
CID 70502242
4-[2-(4-chlorophenyl)-3-ethylsulfanyl-2-fluoropropyl]-2H-triazole
CID 70502252
4-[2-(4-chlorophenyl)-3-[1-(4-chlorophenyl)ethylsulfanyl]-2-fluoropropyl]-2H-triazole
CID 70502377
4-[2-(4-chlorophenyl)-2-fluoro-2-(2-methylthiophen-3-yl)ethyl]-2H-triazole
CID 70502651
1-[2-(4-Chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
CID 70505516
4-[[4-(3,4-dichlorophenyl)phenyl]sulfanylmethyl]-2H-triazole
CID 170548663
4-[2-(3-methylthiophen-2-yl)ethyl]-2H-triazole
CID 112718188

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole?
The IUPAC name of 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole (CID 70505518) is 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole is FC(Cc1cn[nH]n1)(Cc1sccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole?
The InChIKey is XLYKOVWRUIQMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3S/c16-11-3-1-10(2-4-11)15(18,7-12-9-19-21-20-12)8-14-13(17)5-6-22-14/h1-6,9H,7-8H2,(H,19,20,21).
What are the key properties of 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole?
4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole has a molecular weight of 356.25 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole is sourced from PubChem (CID 70505518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).