bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid

C18H15ClF28O5 — CID 157441886

About bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid

bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid (PubChem CID 157441886) has the molecular formula C18H15ClF28O5 and a molecular weight of 878.71 g/mol. Its IUPAC name is bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid.

Molecular Properties

• Compound Name: bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid
• PubChem CID: 157441886
• Molecular Formula: C18H15ClF28O5
• Molecular Weight: 878.71 g/mol
• Exact Mass: 878.02
• IUPAC Name: bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid
• SMILES: CCF.CCF.FCF.FCF.O=C(Cl)C(F)(OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7ClF13O2.C5HF9O3.2C2H5F.2CH2F2/c8-1(22)2(9,5(13,14)15)23-4(12,7(19,20)21)3(10,11)6(16,17)18;6-2(1(15)16,3(7,8)9)17-5(13,14)4(10,11)12;2*1-2-3;2*2-1-3/h;(H,15,16);2*2H2,1H3;2*1H2
• InChIKey: BRTPLCRDZHWZPG-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	878.71
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid?

The IUPAC name of bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid (CID 157441886) is bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid.

What is the SMILES notation for bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid?

The canonical SMILES for bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid is CCF.CCF.FCF.FCF.O=C(Cl)C(F)(OC(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.O=C(O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid?

The InChIKey is BRTPLCRDZHWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7ClF13O2.C5HF9O3.2C2H5F.2CH2F2/c8-1(22)2(9,5(13,14)15)23-4(12,7(19,20)21)3(10,11)6(16,17)18;6-2(1(15)16,3(7,8)9)17-5(13,14)4(10,11)12;2*1-2-3;2*2-1-3/h;(H,15,16);2*2H2,1H3;2*1H2.

What are the key properties of bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid?

bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid has a molecular weight of 878.71 g/mol, XLogP of 10.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(difluoromethane);fluoroethane;2,3,3,3-tetrafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yloxy)propanoyl chloride;2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoic acid is sourced from PubChem (CID 157441886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).