5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one

C11H19F3O3 — CID 157126215

IUPAC5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
SMILESCCCCOCCOCCCC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-2-3-6-16-8-9-17-7-4-5-10(15)11(12,13)14/h2-9H2,1H3
InChIKeyAINNCKKFEIZDHW-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.73
Rot. Bonds10

About 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one

5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one (PubChem CID 157126215) has the molecular formula C11H19F3O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
PubChem CID157126215
Molecular FormulaC11H19F3O3
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
SMILESCCCCOCCOCCCC(=O)C(F)(F)F
InChIInChI=1S/C11H19F3O3/c1-2-3-6-16-8-9-17-7-4-5-10(15)11(12,13)14/h2-9H2,1H3
InChIKeyAINNCKKFEIZDHW-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-1-methoxy-5-propoxypentan-2-one
CID 162217486
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
1-butoxybutane;propan-2-one
CID 18424800
1-bromo-7-[2-(2-butoxyethoxy)ethoxy]heptan-4-one
CID 106798945
1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643
acetic acid;1-butoxybutane
CID 22256220
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058

Frequently Asked Questions

What is the IUPAC name of 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one?
The IUPAC name of 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one (CID 157126215) is 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one is CCCCOCCOCCCC(=O)C(F)(F)F.
What is the InChIKey of 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one?
The InChIKey is AINNCKKFEIZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O3/c1-2-3-6-16-8-9-17-7-4-5-10(15)11(12,13)14/h2-9H2,1H3.
What are the key properties of 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one?
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 157126215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).