1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane

C7H9F7O — CID 59203903

IUPAC1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane
SMILESCC(F)(F)C(F)(CCC(F)(F)F)OCF
InChIInChI=1S/C7H9F7O/c1-5(9,10)6(11,15-4-8)2-3-7(12,13)14/h2-4H2,1H3
InChIKeyRDGSQSPSFXOHNZ-UHFFFAOYSA-N
MW242.13 g/mol
LogP3.59
Rot. Bonds5

About 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane

1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane (PubChem CID 59203903) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane.

Molecular Properties

Compound Name1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane
PubChem CID59203903
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane
SMILESCC(F)(F)C(F)(CCC(F)(F)F)OCF
InChIInChI=1S/C7H9F7O/c1-5(9,10)6(11,15-4-8)2-3-7(12,13)14/h2-4H2,1H3
InChIKeyRDGSQSPSFXOHNZ-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane?
The IUPAC name of 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane (CID 59203903) is 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane.
What is the SMILES notation for 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane?
The canonical SMILES for 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane is CC(F)(F)C(F)(CCC(F)(F)F)OCF.
What is the InChIKey of 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane?
The InChIKey is RDGSQSPSFXOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-5(9,10)6(11,15-4-8)2-3-7(12,13)14/h2-4H2,1H3.
What are the key properties of 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane?
1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane has a molecular weight of 242.13 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5-hexafluoro-4-(fluoromethoxy)hexane is sourced from PubChem (CID 59203903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).