5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole

C24H14F8N8O2 — CID 164848538

About 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole

5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole (PubChem CID 164848538) has the molecular formula C24H14F8N8O2 and a molecular weight of 598.41 g/mol. Its IUPAC name is 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole.

Molecular Properties

• Compound Name: 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole
• PubChem CID: 164848538
• Molecular Formula: C24H14F8N8O2
• Molecular Weight: 598.41 g/mol
• Exact Mass: 598.11
• IUPAC Name: 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole
• SMILES: COCc1cc(-c2c(F)c(F)c(-c3nn[nH]n3)c(F)c2F)c(COC)cc1-c1c(F)c(F)c(-c2nn[nH]n2)c(F)c1F
• InChI: InChI=1S/C24H14F8N8O2/c1-41-5-7-3-10(12-17(27)21(31)14(22(32)18(12)28)24-35-39-40-36-24)8(6-42-2)4-9(7)11-15(25)19(29)13(20(30)16(11)26)23-33-37-38-34-23/h3-4H,5-6H2,1-2H3,(H,33,34,37,38)(H,35,36,39,40)
• InChIKey: HAIVQPUKDJIRHQ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.41
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole?

The IUPAC name of 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole (CID 164848538) is 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole.

What is the SMILES notation for 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole?

The canonical SMILES for 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole is COCc1cc(-c2c(F)c(F)c(-c3nn[nH]n3)c(F)c2F)c(COC)cc1-c1c(F)c(F)c(-c2nn[nH]n2)c(F)c1F.

What is the InChIKey of 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole?

The InChIKey is HAIVQPUKDJIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F8N8O2/c1-41-5-7-3-10(12-17(27)21(31)14(22(32)18(12)28)24-35-39-40-36-24)8(6-42-2)4-9(7)11-15(25)19(29)13(20(30)16(11)26)23-33-37-38-34-23/h3-4H,5-6H2,1-2H3,(H,33,34,37,38)(H,35,36,39,40).

What are the key properties of 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole?

5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole has a molecular weight of 598.41 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2,5-bis(methoxymethyl)-4-[2,3,5,6-tetrafluoro-4-(2H-tetrazol-5-yl)phenyl]phenyl]-2,3,5,6-tetrafluorophenyl]-2H-tetrazole is sourced from PubChem (CID 164848538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).