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

C8H5F13O — CID 21019463

IUPAC1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane
SMILESFC(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c9-3(10)6(15,16)4(11,12)1-22-2-5(13,14)7(17,18)8(19,20)21/h3H,1-2H2
InChIKeyMECAZFYYNWLLGC-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.37
Rot. Bonds7

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

1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane (PubChem CID 21019463) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane
PubChem CID21019463
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane
SMILESFC(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c9-3(10)6(15,16)4(11,12)1-22-2-5(13,14)7(17,18)8(19,20)21/h3H,1-2H2
InChIKeyMECAZFYYNWLLGC-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.37
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-(2,2,3,3,4,4-hexafluorobutoxy)butane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane (CID 21019463) is 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane is FC(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane?
The InChIKey is MECAZFYYNWLLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c9-3(10)6(15,16)4(11,12)1-22-2-5(13,14)7(17,18)8(19,20)21/h3H,1-2H2.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane?
1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane has a molecular weight of 364.10 g/mol, XLogP of 4.37, 7 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-(2,2,3,3,4,4-hexafluorobutoxy)butane is sourced from PubChem (CID 21019463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).