2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane

C11H8F18O2 — CID 87992619

About 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane

2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (PubChem CID 87992619) has the molecular formula C11H8F18O2 and a molecular weight of 514.15 g/mol. Its IUPAC name is 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane.

Molecular Properties

• Compound Name: 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
• PubChem CID: 87992619
• Molecular Formula: C11H8F18O2
• Molecular Weight: 514.15 g/mol
• Exact Mass: 514.02
• IUPAC Name: 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
• SMILES: CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.COC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H5F9O.C5H3F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h2H2,1H3;1H3
• InChIKey: SFQGISLEHMKJIA-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.15
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane?

The IUPAC name of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (CID 87992619) is 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane.

What is the SMILES notation for 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane?

The canonical SMILES for 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.COC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane?

The InChIKey is SFQGISLEHMKJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O.C5H3F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12/h2H2,1H3;1H3.

What are the key properties of 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane?

2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane has a molecular weight of 514.15 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane is sourced from PubChem (CID 87992619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).