5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane

C10H18BrF3O — CID 55207851

IUPAC5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCC(CCCOCC(F)(F)F)C(C)Br
InChIInChI=1S/C10H18BrF3O/c1-3-9(8(2)11)5-4-6-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyFAYNWAOOKLWIFI-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.16
Rot. Bonds7

About 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane

5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane (PubChem CID 55207851) has the molecular formula C10H18BrF3O and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
PubChem CID55207851
Molecular FormulaC10H18BrF3O
Molecular Weight291.15 g/mol
Exact Mass290.05
IUPAC Name5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCC(CCCOCC(F)(F)F)C(C)Br
InChIInChI=1S/C10H18BrF3O/c1-3-9(8(2)11)5-4-6-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyFAYNWAOOKLWIFI-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732283
4-Bromo-3-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 61732497
5-Bromo-4-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61732699
4-Bromo-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733104
5-Bromo-6-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61733309
4-Bromo-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733925
3-(1-Bromoethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 62915891
4-(1-Bromoethyl)-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 62916069
4-Bromo-3-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 63559951
5-Bromo-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 63560319
6-Bromo-7-methyl-1-(2,2,2-trifluoroethoxy)octane
CID 64508546
1-Bromo-2-methyl-6-(2,2,2-trifluoroethoxy)hexane
CID 64671004

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane (CID 55207851) is 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane is CCC(CCCOCC(F)(F)F)C(C)Br.
What is the InChIKey of 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is FAYNWAOOKLWIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF3O/c1-3-9(8(2)11)5-4-6-15-7-10(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane?
5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 291.15 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 55207851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).