1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole

C18H14Cl2F2N8S — CID 70385811

IUPAC1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole
SMILESCC(SC(C)c1nnnn1-c1ccc(Cl)cc1F)c1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H14Cl2F2N8S/c1-9(17-23-25-27-29(17)15-5-3-11(19)7-13(15)21)31-10(2)18-24-26-28-30(18)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3
InChIKeyMMHOBBNVUOMJFJ-UHFFFAOYSA-N
MW483.34 g/mol
LogP4.78
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole

1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole (PubChem CID 70385811) has the molecular formula C18H14Cl2F2N8S and a molecular weight of 483.34 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole
PubChem CID70385811
Molecular FormulaC18H14Cl2F2N8S
Molecular Weight483.34 g/mol
Exact Mass482.04
IUPAC Name1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole
SMILESCC(SC(C)c1nnnn1-c1ccc(Cl)cc1F)c1nnnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C18H14Cl2F2N8S/c1-9(17-23-25-27-29(17)15-5-3-11(19)7-13(15)21)31-10(2)18-24-26-28-30(18)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3
InChIKeyMMHOBBNVUOMJFJ-UHFFFAOYSA-N
XLogP4.78
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole (CID 70385811) is 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole is CC(SC(C)c1nnnn1-c1ccc(Cl)cc1F)c1nnnn1-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole?
The InChIKey is MMHOBBNVUOMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F2N8S/c1-9(17-23-25-27-29(17)15-5-3-11(19)7-13(15)21)31-10(2)18-24-26-28-30(18)16-6-4-12(20)8-14(16)22/h3-10H,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole?
1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole has a molecular weight of 483.34 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-5-[1-[1-[1-(4-chloro-2-fluorophenyl)tetrazol-5-yl]ethylsulfanyl]ethyl]tetrazole is sourced from PubChem (CID 70385811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).