1-bromo-6-(2,2,2-trifluoroethoxy)hexane

C8H14BrF3O — CID 64507348

IUPAC1-bromo-6-(2,2,2-trifluoroethoxy)hexane
SMILESFC(F)(F)COCCCCCCBr
InChIInChI=1S/C8H14BrF3O/c9-5-3-1-2-4-6-13-7-8(10,11)12/h1-7H2
InChIKeyVNQQCNSFGDFYAD-UHFFFAOYSA-N
MW263.10 g/mol
LogP3.52
Rot. Bonds7

About 1-bromo-6-(2,2,2-trifluoroethoxy)hexane

1-bromo-6-(2,2,2-trifluoroethoxy)hexane (PubChem CID 64507348) has the molecular formula C8H14BrF3O and a molecular weight of 263.10 g/mol. Its IUPAC name is 1-bromo-6-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name1-bromo-6-(2,2,2-trifluoroethoxy)hexane
PubChem CID64507348
Molecular FormulaC8H14BrF3O
Molecular Weight263.10 g/mol
Exact Mass262.02
IUPAC Name1-bromo-6-(2,2,2-trifluoroethoxy)hexane
SMILESFC(F)(F)COCCCCCCBr
InChIInChI=1S/C8H14BrF3O/c9-5-3-1-2-4-6-13-7-8(10,11)12/h1-7H2
InChIKeyVNQQCNSFGDFYAD-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 1-bromo-6-(2,2,2-trifluoroethoxy)hexane (CID 64507348) is 1-bromo-6-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 1-bromo-6-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 1-bromo-6-(2,2,2-trifluoroethoxy)hexane is FC(F)(F)COCCCCCCBr.
What is the InChIKey of 1-bromo-6-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is VNQQCNSFGDFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF3O/c9-5-3-1-2-4-6-13-7-8(10,11)12/h1-7H2.
What are the key properties of 1-bromo-6-(2,2,2-trifluoroethoxy)hexane?
1-bromo-6-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 263.10 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 64507348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).