1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane

C11H21F3O3 — CID 22916515

IUPAC1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
SMILESCCCCOC(C)(OCCCC)OC(F)(F)F
InChIInChI=1S/C11H21F3O3/c1-4-6-8-15-10(3,16-9-7-5-2)17-11(12,13)14/h4-9H2,1-3H3
InChIKeyAFRVNSZTCGXAGM-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.83
Rot. Bonds9

About 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane

1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane (PubChem CID 22916515) has the molecular formula C11H21F3O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane.

Molecular Properties

Compound Name1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
PubChem CID22916515
Molecular FormulaC11H21F3O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane
SMILESCCCCOC(C)(OCCCC)OC(F)(F)F
InChIInChI=1S/C11H21F3O3/c1-4-6-8-15-10(3,16-9-7-5-2)17-11(12,13)14/h4-9H2,1-3H3
InChIKeyAFRVNSZTCGXAGM-UHFFFAOYSA-N
XLogP3.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1,1-dibutoxyethoxyperoxycarbonyl 1,1-dibutoxyethylperoxy carbonate
CID 88666775
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
5,6-dibutoxy-5,6-dimethyldecane
CID 152500539
2,2-dibutoxypropan-1-ol
CID 145497919
1-(1,1-dipropoxyethoxy)propane
CID 21433420
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
2-bromo-2-butoxy-1,1,2-trifluoroethanol
CID 173107066
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
1-butoxy-3,3-difluorobutane
CID 175614029
2-(3-butoxy-3-methylbutoxy)-2-methylpentane
CID 130387675
1-(1-butoxy-1-phosphorosoethoxy)butane
CID 54326502

Frequently Asked Questions

What is the IUPAC name of 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane?
The IUPAC name of 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane (CID 22916515) is 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane.
What is the SMILES notation for 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane?
The canonical SMILES for 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane is CCCCOC(C)(OCCCC)OC(F)(F)F.
What is the InChIKey of 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane?
The InChIKey is AFRVNSZTCGXAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3/c1-4-6-8-15-10(3,16-9-7-5-2)17-11(12,13)14/h4-9H2,1-3H3.
What are the key properties of 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane?
1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane has a molecular weight of 258.28 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butoxy-1-(trifluoromethoxy)ethoxy]butane is sourced from PubChem (CID 22916515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).