2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane

C17H24F12O2 — CID 89190307

About 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane

2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane (PubChem CID 89190307) has the molecular formula C17H24F12O2 and a molecular weight of 488.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane
• PubChem CID: 89190307
• Molecular Formula: C17H24F12O2
• Molecular Weight: 488.35 g/mol
• Exact Mass: 488.16
• IUPAC Name: 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane
• SMILES: CCC(C)(C(C)(C)OC(F)(F)C(C)(C)OC(C)(F)C(F)(F)F)C(F)(C(F)F)C(F)(F)F
• InChI: InChI=1S/C17H24F12O2/c1-8-12(6,14(21,9(18)19)16(25,26)27)10(2,3)31-17(28,29)11(4,5)30-13(7,20)15(22,23)24/h9H,8H2,1-7H3
• InChIKey: DUXLLHYMVOPUNC-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.35
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane?

The IUPAC name of 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane (CID 89190307) is 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane.

What is the SMILES notation for 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane?

The canonical SMILES for 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane is CCC(C)(C(C)(C)OC(F)(F)C(C)(C)OC(C)(F)C(F)(F)F)C(F)(C(F)F)C(F)(F)F.

What is the InChIKey of 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane?

The InChIKey is DUXLLHYMVOPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F12O2/c1-8-12(6,14(21,9(18)19)16(25,26)27)10(2,3)31-17(28,29)11(4,5)30-13(7,20)15(22,23)24/h9H,8H2,1-7H3.

What are the key properties of 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane?

2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane has a molecular weight of 488.35 g/mol, XLogP of 7.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-4-[1,1-difluoro-2-methyl-2-(1,1,1,2-tetrafluoropropan-2-yloxy)propoxy]-3-ethyl-1,1,1,2-tetrafluoro-3,4-dimethylpentane is sourced from PubChem (CID 89190307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).