1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione

C10H11F7O2 — CID 57469312

IUPAC1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione
SMILESCC(C)(C)CC(=O)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O2/c1-7(2,3)4-5(18)6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
InChIKeyDBMYWKZWADIPGS-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.39
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione

1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione (PubChem CID 57469312) has the molecular formula C10H11F7O2 and a molecular weight of 296.18 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione
PubChem CID57469312
Molecular FormulaC10H11F7O2
Molecular Weight296.18 g/mol
Exact Mass296.06
IUPAC Name1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione
SMILESCC(C)(C)CC(=O)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H11F7O2/c1-7(2,3)4-5(18)6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3
InChIKeyDBMYWKZWADIPGS-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-7,7-dimethyloctane-4,5-dione?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione (CID 57469312) is 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione is CC(C)(C)CC(=O)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione?
The InChIKey is DBMYWKZWADIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O2/c1-7(2,3)4-5(18)6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione?
1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione has a molecular weight of 296.18 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyloctane-4,5-dione is sourced from PubChem (CID 57469312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).