1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole

C14H10Cl2FN3S — CID 70502241

IUPAC1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole
SMILESFC(Cn1ccnn1)(c1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C14H10Cl2FN3S/c15-11-3-1-10(2-4-11)14(17,9-20-7-6-18-19-20)13-12(16)5-8-21-13/h1-8H,9H2
InChIKeyQITBHACFOWQDGE-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.56
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole

1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole (PubChem CID 70502241) has the molecular formula C14H10Cl2FN3S and a molecular weight of 342.23 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole
PubChem CID70502241
Molecular FormulaC14H10Cl2FN3S
Molecular Weight342.23 g/mol
Exact Mass341.00
IUPAC Name1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole
SMILESFC(Cn1ccnn1)(c1ccc(Cl)cc1)c1sccc1Cl
InChIInChI=1S/C14H10Cl2FN3S/c15-11-3-1-10(2-4-11)14(17,9-20-7-6-18-19-20)13-12(16)5-8-21-13/h1-8H,9H2
InChIKeyQITBHACFOWQDGE-UHFFFAOYSA-N
XLogP4.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Chlorophenyl)-3-[(4-chlorophenyl)methylsulfanyl]-2-fluoropropyl]triazole
CID 70501735
1-[2-(4-Chlorophenyl)-3-(4-chlorophenyl)sulfanyl-2-fluoropropyl]triazole
CID 70501767
1-[2-(4-Chlorophenyl)-2-fluoro-3-(2-methylthiophen-3-yl)propyl]triazole
CID 70501964
1-[2-(4-Chlorophenyl)-2-fluoro-3-(triazol-1-yl)propyl]triazole
CID 70502061
4-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]-2H-triazole
CID 70502242
1-[2-(4-Chlorophenyl)-3-ethylsulfanyl-2-fluoropropyl]triazole
CID 70502251
1-[2-(4-Chlorophenyl)-3-[2-(4-chlorophenyl)ethylsulfanyl]-2-fluoropropyl]triazole
CID 70502376
1-[2-(4-Chlorophenyl)-2-fluoro-2-(2-methylthiophen-3-yl)ethyl]triazole
CID 70502650
1-[2-(4-Chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
CID 70505516
4-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]-2H-triazole
CID 70505518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole (CID 70502241) is 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole is FC(Cn1ccnn1)(c1ccc(Cl)cc1)c1sccc1Cl.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole?
The InChIKey is QITBHACFOWQDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3S/c15-11-3-1-10(2-4-11)14(17,9-20-7-6-18-19-20)13-12(16)5-8-21-13/h1-8H,9H2.
What are the key properties of 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole?
1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole has a molecular weight of 342.23 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(3-chlorothiophen-2-yl)-2-fluoroethyl]triazole is sourced from PubChem (CID 70502241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).