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

C15H12Cl2FN3S — CID 70505516

IUPAC1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
SMILESFC(Cc1sccc1Cl)(Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3S/c16-12-3-1-11(2-4-12)15(18,10-21-7-6-19-20-21)9-14-13(17)5-8-22-14/h1-8H,9-10H2
InChIKeyDRUFWADXGIWBLV-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.75
Rot. Bonds5

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

1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole (PubChem CID 70505516) has the molecular formula C15H12Cl2FN3S and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
PubChem CID70505516
Molecular FormulaC15H12Cl2FN3S
Molecular Weight356.25 g/mol
Exact Mass355.01
IUPAC Name1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole
SMILESFC(Cc1sccc1Cl)(Cn1ccnn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2FN3S/c16-12-3-1-11(2-4-12)15(18,10-21-7-6-19-20-21)9-14-13(17)5-8-22-14/h1-8H,9-10H2
InChIKeyDRUFWADXGIWBLV-UHFFFAOYSA-N
XLogP4.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.75
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
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
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
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)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole?
The IUPAC name of 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole (CID 70505516) is 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole?
The canonical SMILES for 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole is FC(Cc1sccc1Cl)(Cn1ccnn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole?
The InChIKey is DRUFWADXGIWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3S/c16-12-3-1-11(2-4-12)15(18,10-21-7-6-19-20-21)9-14-13(17)5-8-22-14/h1-8H,9-10H2.
What are the key properties of 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole?
1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole has a molecular weight of 356.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-3-(3-chlorothiophen-2-yl)-2-fluoropropyl]triazole is sourced from PubChem (CID 70505516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).