1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane

C7H3F13O — CID 75360833

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-2(4(11,12)13)5(14,15)21-1-3(9,10)6(16,17)7(18,19)20/h2H,1H2
InChIKeyITRARIZTIUSJFX-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.33
Rot. Bonds5

About 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane

1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane (PubChem CID 75360833) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
PubChem CID75360833
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane
SMILESFC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-2(4(11,12)13)5(14,15)21-1-3(9,10)6(16,17)7(18,19)20/h2H,1H2
InChIKeyITRARIZTIUSJFX-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.33
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-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane (CID 75360833) is 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane is FC(C(F)(F)F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
The InChIKey is ITRARIZTIUSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c8-2(4(11,12)13)5(14,15)21-1-3(9,10)6(16,17)7(18,19)20/h2H,1H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane?
1,1,1,2,2,3,3-heptafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)butane has a molecular weight of 350.07 g/mol, XLogP of 4.33, 5 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-4-(1,1,2,3,3,3-hexafluoropropoxy)butane is sourced from PubChem (CID 75360833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).