8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one

C11H19F3O2 — CID 116709527

IUPAC8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one
SMILESCOC(C(=O)CCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3O2/c1-10(2,3)9(16-4)8(15)6-5-7-11(12,13)14/h9H,5-7H2,1-4H3
InChIKeyFUWSLUYCSLUYDA-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds5

About 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one

8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one (PubChem CID 116709527) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one
PubChem CID116709527
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one
SMILESCOC(C(=O)CCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H19F3O2/c1-10(2,3)9(16-4)8(15)6-5-7-11(12,13)14/h9H,5-7H2,1-4H3
InChIKeyFUWSLUYCSLUYDA-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one?
The IUPAC name of 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one (CID 116709527) is 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one.
What is the SMILES notation for 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one?
The canonical SMILES for 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one is COC(C(=O)CCCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one?
The InChIKey is FUWSLUYCSLUYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-10(2,3)9(16-4)8(15)6-5-7-11(12,13)14/h9H,5-7H2,1-4H3.
What are the key properties of 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one?
8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one has a molecular weight of 240.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methoxy-2,2-dimethyloctan-4-one is sourced from PubChem (CID 116709527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).