6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one

C11H11F9O — CID 71333643

IUPAC6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one
SMILESCC(C)(C)C(=O)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F9O/c1-7(2,3)6(21)4-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h4-5H,1-3H3
InChIKeyFDLCNAFIXQUBBQ-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.63
Rot. Bonds4

About 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one

6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one (PubChem CID 71333643) has the molecular formula C11H11F9O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one
PubChem CID71333643
Molecular FormulaC11H11F9O
Molecular Weight330.19 g/mol
Exact Mass330.07
IUPAC Name6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one
SMILESCC(C)(C)C(=O)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F9O/c1-7(2,3)6(21)4-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h4-5H,1-3H3
InChIKeyFDLCNAFIXQUBBQ-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2-Tetrafluoro-2-(trifluoromethyl)-4-hexen-3-one
CID 71349287
(E)-1,1,1-trifluoro-5-methylhept-2-en-4-one
CID 44248476
6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one
CID 293593
(E)-7,7,7-trifluoro-2,2,6-trimethylhept-4-en-3-one
CID 101156797
(Z)-7,7,7-trifluoro-2,2,6-trimethylhept-4-en-3-one
CID 101156798
4-tert-Butyl-6,6-difluorocyclohexa-2,4-dien-1-one
CID 15208224
(E)-1-fluoro-2,2,6,6-tetramethylhept-4-en-3-one
CID 19843741
1-Fluoro-2,2,6,6-tetramethylhept-4-en-3-one
CID 53726294
(5E)-3,3-difluoro-8-methylnona-1,5-dien-4-one
CID 58088311
4-(1,2,3,3-Tetrafluorocyclobutyl)but-3-en-2-one
CID 59906071
(E)-1,1,1-trifluoro-2,2-dimethylhex-4-en-3-one
CID 59951353
(E)-1-fluoro-2,2-bis(fluoromethyl)dec-4-en-3-one
CID 87801008

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one?
The IUPAC name of 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one (CID 71333643) is 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one.
What is the SMILES notation for 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one?
The canonical SMILES for 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one is CC(C)(C)C(=O)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one?
The InChIKey is FDLCNAFIXQUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F9O/c1-7(2,3)6(21)4-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h4-5H,1-3H3.
What are the key properties of 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one?
6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one has a molecular weight of 330.19 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,9-nonafluoro-2,2-dimethylnon-4-en-3-one is sourced from PubChem (CID 71333643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).