4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane

C6H5F9O — CID 75360834

IUPAC4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
SMILESCC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-3(7,8)16-2-4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKeyZAUXRLVUBYXUQJ-UHFFFAOYSA-N
MW264.09 g/mol
LogP3.45
Rot. Bonds4

About 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane

4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane (PubChem CID 75360834) has the molecular formula C6H5F9O and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
PubChem CID75360834
Molecular FormulaC6H5F9O
Molecular Weight264.09 g/mol
Exact Mass264.02
IUPAC Name4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
SMILESCC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F9O/c1-3(7,8)16-2-4(9,10)5(11,12)6(13,14)15/h2H2,1H3
InChIKeyZAUXRLVUBYXUQJ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 53.45
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 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The IUPAC name of 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane (CID 75360834) is 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane.
What is the SMILES notation for 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The canonical SMILES for 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane is CC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
The InChIKey is ZAUXRLVUBYXUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9O/c1-3(7,8)16-2-4(9,10)5(11,12)6(13,14)15/h2H2,1H3.
What are the key properties of 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane?
4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane has a molecular weight of 264.09 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane is sourced from PubChem (CID 75360834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).