2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane

C19H28F18O2 — CID 123324137

IUPAC2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F.CC(F)(F)C(F)(F)OCF.CCC.CCC
InChIInChI=1S/C9H7F13O.C4H5F5O.2C3H8/c1-5(11,12)9(21,22)23-8(19,20)3(6(13,14)15)2-4(10)7(16,17)18;1-3(6,7)4(8,9)10-2-5;2*1-3-2/h3-4H,2H2,1H3;2H2,1H3;2*3H2,1-2H3
InChIKeyOKMDEOQLCRYDEV-UHFFFAOYSA-N
MW630.39 g/mol
LogP10.32
Rot. Bonds9

About 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane

2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane (PubChem CID 123324137) has the molecular formula C19H28F18O2 and a molecular weight of 630.39 g/mol. Its IUPAC name is 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane.

Molecular Properties

Compound Name2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
PubChem CID123324137
Molecular FormulaC19H28F18O2
Molecular Weight630.39 g/mol
Exact Mass630.18
IUPAC Name2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F.CC(F)(F)C(F)(F)OCF.CCC.CCC
InChIInChI=1S/C9H7F13O.C4H5F5O.2C3H8/c1-5(11,12)9(21,22)23-8(19,20)3(6(13,14)15)2-4(10)7(16,17)18;1-3(6,7)4(8,9)10-2-5;2*1-3-2/h3-4H,2H2,1H3;2H2,1H3;2*3H2,1-2H3
InChIKeyOKMDEOQLCRYDEV-UHFFFAOYSA-N
XLogP10.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.39
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane?
The IUPAC name of 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane (CID 123324137) is 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane.
What is the SMILES notation for 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane?
The canonical SMILES for 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane is CC(F)(F)C(F)(F)OC(F)(F)C(CC(F)C(F)(F)F)C(F)(F)F.CC(F)(F)C(F)(F)OCF.CCC.CCC.
What is the InChIKey of 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane?
The InChIKey is OKMDEOQLCRYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F13O.C4H5F5O.2C3H8/c1-5(11,12)9(21,22)23-8(19,20)3(6(13,14)15)2-4(10)7(16,17)18;1-3(6,7)4(8,9)10-2-5;2*1-3-2/h3-4H,2H2,1H3;2H2,1H3;2*3H2,1-2H3.
What are the key properties of 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane?
2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane has a molecular weight of 630.39 g/mol, XLogP of 10.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;propane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane is sourced from PubChem (CID 123324137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).