11,11,11-trifluoroundecane-4,6-dione

C11H17F3O2 — CID 175186134

IUPAC11,11,11-trifluoroundecane-4,6-dione
SMILESCCCC(=O)CC(=O)CCCCC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-5-9(15)8-10(16)6-3-4-7-11(12,13)14/h2-8H2,1H3
InChIKeyFBQIGQFRDATYJC-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.44
Rot. Bonds8

About 11,11,11-trifluoroundecane-4,6-dione

11,11,11-trifluoroundecane-4,6-dione (PubChem CID 175186134) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 11,11,11-trifluoroundecane-4,6-dione.

Molecular Properties

Compound Name11,11,11-trifluoroundecane-4,6-dione
PubChem CID175186134
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name11,11,11-trifluoroundecane-4,6-dione
SMILESCCCC(=O)CC(=O)CCCCC(F)(F)F
InChIInChI=1S/C11H17F3O2/c1-2-5-9(15)8-10(16)6-3-4-7-11(12,13)14/h2-8H2,1H3
InChIKeyFBQIGQFRDATYJC-UHFFFAOYSA-N
XLogP3.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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11-bromo-1,1,1-trifluoroundecan-6-one
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heptacosane-10,12-dione
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CID 159104336
8,8,8-trifluorooctanethioic S-acid
CID 123473867
2,2-dimethyltridecane-5,7-dione
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tridecane-4,9-dione
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heptane-2,4-dione;palladium(2+)
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9-(2,2,2-trifluoroethoxy)nonan-4-one
CID 64502644

Frequently Asked Questions

What is the IUPAC name of 11,11,11-trifluoroundecane-4,6-dione?
The IUPAC name of 11,11,11-trifluoroundecane-4,6-dione (CID 175186134) is 11,11,11-trifluoroundecane-4,6-dione.
What is the SMILES notation for 11,11,11-trifluoroundecane-4,6-dione?
The canonical SMILES for 11,11,11-trifluoroundecane-4,6-dione is CCCC(=O)CC(=O)CCCCC(F)(F)F.
What is the InChIKey of 11,11,11-trifluoroundecane-4,6-dione?
The InChIKey is FBQIGQFRDATYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-2-5-9(15)8-10(16)6-3-4-7-11(12,13)14/h2-8H2,1H3.
What are the key properties of 11,11,11-trifluoroundecane-4,6-dione?
11,11,11-trifluoroundecane-4,6-dione has a molecular weight of 238.25 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11,11-trifluoroundecane-4,6-dione is sourced from PubChem (CID 175186134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).