11-chloro-1,1,1-trifluoroundecane-2,4-dione

C11H16ClF3O2 — CID 121220467

IUPAC11-chloro-1,1,1-trifluoroundecane-2,4-dione
SMILESO=C(CCCCCCCCl)CC(=O)C(F)(F)F
InChIInChI=1S/C11H16ClF3O2/c12-7-5-3-1-2-4-6-9(16)8-10(17)11(13,14)15/h1-8H2
InChIKeySTJDVNBKHYOFTM-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.66
Rot. Bonds9

About 11-chloro-1,1,1-trifluoroundecane-2,4-dione

11-chloro-1,1,1-trifluoroundecane-2,4-dione (PubChem CID 121220467) has the molecular formula C11H16ClF3O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 11-chloro-1,1,1-trifluoroundecane-2,4-dione.

Molecular Properties

Compound Name11-chloro-1,1,1-trifluoroundecane-2,4-dione
PubChem CID121220467
Molecular FormulaC11H16ClF3O2
Molecular Weight272.69 g/mol
Exact Mass272.08
IUPAC Name11-chloro-1,1,1-trifluoroundecane-2,4-dione
SMILESO=C(CCCCCCCCl)CC(=O)C(F)(F)F
InChIInChI=1S/C11H16ClF3O2/c12-7-5-3-1-2-4-6-9(16)8-10(17)11(13,14)15/h1-8H2
InChIKeySTJDVNBKHYOFTM-UHFFFAOYSA-N
XLogP3.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-1,1,1-trifluoroundecane-2,4-dione?
The IUPAC name of 11-chloro-1,1,1-trifluoroundecane-2,4-dione (CID 121220467) is 11-chloro-1,1,1-trifluoroundecane-2,4-dione.
What is the SMILES notation for 11-chloro-1,1,1-trifluoroundecane-2,4-dione?
The canonical SMILES for 11-chloro-1,1,1-trifluoroundecane-2,4-dione is O=C(CCCCCCCCl)CC(=O)C(F)(F)F.
What is the InChIKey of 11-chloro-1,1,1-trifluoroundecane-2,4-dione?
The InChIKey is STJDVNBKHYOFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3O2/c12-7-5-3-1-2-4-6-9(16)8-10(17)11(13,14)15/h1-8H2.
What are the key properties of 11-chloro-1,1,1-trifluoroundecane-2,4-dione?
11-chloro-1,1,1-trifluoroundecane-2,4-dione has a molecular weight of 272.69 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-1,1,1-trifluoroundecane-2,4-dione is sourced from PubChem (CID 121220467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).