1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane

C6H3F11O — CID 59685373

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
SMILESCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-2(7,4(10,11)12)18-6(16,17)3(8,9)5(13,14)15/h1H3
InChIKeyLLUADCONOGDDDD-UHFFFAOYSA-N
MW300.07 g/mol
LogP4.04
Rot. Bonds3

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane (PubChem CID 59685373) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
PubChem CID59685373
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
SMILESCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-2(7,4(10,11)12)18-6(16,17)3(8,9)5(13,14)15/h1H3
InChIKeyLLUADCONOGDDDD-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane (CID 59685373) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane is CC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
The InChIKey is LLUADCONOGDDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c1-2(7,4(10,11)12)18-6(16,17)3(8,9)5(13,14)15/h1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane has a molecular weight of 300.07 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane is sourced from PubChem (CID 59685373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).