1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

C15H9Cl2F3N4O — CID 1479515

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCOc1cc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2F3N4O/c1-25-13-7-12(10(16)6-11(13)17)24-14(21-22-23-24)8-3-2-4-9(5-8)15(18,19)20/h2-7H,1H3
InChIKeySZULFHQAOIMQEU-UHFFFAOYSA-N
MW389.16 g/mol
LogP4.66
Rot. Bonds3

About 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole

1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (PubChem CID 1479515) has the molecular formula C15H9Cl2F3N4O and a molecular weight of 389.16 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
PubChem CID1479515
Molecular FormulaC15H9Cl2F3N4O
Molecular Weight389.16 g/mol
Exact Mass388.01
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole
SMILESCOc1cc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2F3N4O/c1-25-13-7-12(10(16)6-11(13)17)24-14(21-22-23-24)8-3-2-4-9(5-8)15(18,19)20/h2-7H,1H3
InChIKeySZULFHQAOIMQEU-UHFFFAOYSA-N
XLogP4.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.16
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole (CID 1479515) is 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is COc1cc(-n2nnnc2-c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
The InChIKey is SZULFHQAOIMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4O/c1-25-13-7-12(10(16)6-11(13)17)24-14(21-22-23-24)8-3-2-4-9(5-8)15(18,19)20/h2-7H,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole?
1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole has a molecular weight of 389.16 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]tetrazole is sourced from PubChem (CID 1479515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).