4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol

C18H30F8O4 — CID 118423033

About 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol

4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol (PubChem CID 118423033) has the molecular formula C18H30F8O4 and a molecular weight of 462.42 g/mol. Its IUPAC name is 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
• PubChem CID: 118423033
• Molecular Formula: C18H30F8O4
• Molecular Weight: 462.42 g/mol
• Exact Mass: 462.20
• IUPAC Name: 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
• SMILES: COCC(F)(F)C(C)(C)OC(F)(F)C(C)(C)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)O
• InChI: InChI=1S/C18H30F8O4/c1-11(2,17(23,24)30-14(7,8)15(19,20)10-28-9)13(5,6)29-18(25,26)16(21,22)12(3,4)27/h27H,10H2,1-9H3
• InChIKey: RMCJVUNUUHJPEY-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.42
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?

The IUPAC name of 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol (CID 118423033) is 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol.

What is the SMILES notation for 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?

The canonical SMILES for 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol is COCC(F)(F)C(C)(C)OC(F)(F)C(C)(C)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)O.

What is the InChIKey of 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?

The InChIKey is RMCJVUNUUHJPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F8O4/c1-11(2,17(23,24)30-14(7,8)15(19,20)10-28-9)13(5,6)29-18(25,26)16(21,22)12(3,4)27/h27H,10H2,1-9H3.

What are the key properties of 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?

4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol has a molecular weight of 462.42 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,3-difluoro-4-methoxy-2-methylbutan-2-yl)oxy-4,4-difluoro-2,3,3-trimethylbutan-2-yl]oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol is sourced from PubChem (CID 118423033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).