2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane

C8H4Cl2F12O — CID 151942981

About 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane

2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane (PubChem CID 151942981) has the molecular formula C8H4Cl2F12O and a molecular weight of 415.00 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

• Compound Name: 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
• PubChem CID: 151942981
• Molecular Formula: C8H4Cl2F12O
• Molecular Weight: 415.00 g/mol
• Exact Mass: 413.94
• IUPAC Name: 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane
• SMILES: FC(F)(F)C(F)(CCl)C(F)(F)OC(F)(F)C(F)(CCl)C(F)(F)F
• InChI: InChI=1S/C8H4Cl2F12O/c9-1-3(11,5(13,14)15)7(19,20)23-8(21,22)4(12,2-10)6(16,17)18/h1-2H2
• InChIKey: TVBFQTUWGGKJRR-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.00
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?

The IUPAC name of 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane (CID 151942981) is 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane.

What is the SMILES notation for 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?

The canonical SMILES for 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane is FC(F)(F)C(F)(CCl)C(F)(F)OC(F)(F)C(F)(CCl)C(F)(F)F.

What is the InChIKey of 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?

The InChIKey is TVBFQTUWGGKJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F12O/c9-1-3(11,5(13,14)15)7(19,20)23-8(21,22)4(12,2-10)6(16,17)18/h1-2H2.

What are the key properties of 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane?

2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 415.00 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(chloromethyl)-1-[2-(chloromethyl)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 151942981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).