1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one

C11H15F7O2 — CID 155036208

IUPAC1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one
SMILESCCC(=O)C(C)(C)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F7O2/c1-4-7(19)8(2,3)5-20-6-9(12,13)10(14,15)11(16,17)18/h4-6H2,1-3H3
InChIKeyUGGUYSAZVYXRNB-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.84
Rot. Bonds7

About 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one

1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one (PubChem CID 155036208) has the molecular formula C11H15F7O2 and a molecular weight of 312.23 g/mol. Its IUPAC name is 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one
PubChem CID155036208
Molecular FormulaC11H15F7O2
Molecular Weight312.23 g/mol
Exact Mass312.10
IUPAC Name1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one
SMILESCCC(=O)C(C)(C)COCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F7O2/c1-4-7(19)8(2,3)5-20-6-9(12,13)10(14,15)11(16,17)18/h4-6H2,1-3H3
InChIKeyUGGUYSAZVYXRNB-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one?
The IUPAC name of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one (CID 155036208) is 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one.
What is the SMILES notation for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one?
The canonical SMILES for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one is CCC(=O)C(C)(C)COCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one?
The InChIKey is UGGUYSAZVYXRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O2/c1-4-7(19)8(2,3)5-20-6-9(12,13)10(14,15)11(16,17)18/h4-6H2,1-3H3.
What are the key properties of 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one?
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one has a molecular weight of 312.23 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3,4,4,4-heptafluorobutoxy)-2,2-dimethylpentan-3-one is sourced from PubChem (CID 155036208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).