1-bromo-6-(trifluoromethoxy)hexane

C7H12BrF3O — CID 75529909

IUPAC1-bromo-6-(trifluoromethoxy)hexane
SMILESFC(F)(F)OCCCCCCBr
InChIInChI=1S/C7H12BrF3O/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2
InChIKeyFPBXJZWVPNMNCC-UHFFFAOYSA-N
MW249.07 g/mol
LogP3.48
Rot. Bonds6

About 1-bromo-6-(trifluoromethoxy)hexane

1-bromo-6-(trifluoromethoxy)hexane (PubChem CID 75529909) has the molecular formula C7H12BrF3O and a molecular weight of 249.07 g/mol. Its IUPAC name is 1-bromo-6-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name1-bromo-6-(trifluoromethoxy)hexane
PubChem CID75529909
Molecular FormulaC7H12BrF3O
Molecular Weight249.07 g/mol
Exact Mass248.00
IUPAC Name1-bromo-6-(trifluoromethoxy)hexane
SMILESFC(F)(F)OCCCCCCBr
InChIInChI=1S/C7H12BrF3O/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2
InChIKeyFPBXJZWVPNMNCC-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 53.48
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-(trifluoromethoxy)hexane?
The IUPAC name of 1-bromo-6-(trifluoromethoxy)hexane (CID 75529909) is 1-bromo-6-(trifluoromethoxy)hexane.
What is the SMILES notation for 1-bromo-6-(trifluoromethoxy)hexane?
The canonical SMILES for 1-bromo-6-(trifluoromethoxy)hexane is FC(F)(F)OCCCCCCBr.
What is the InChIKey of 1-bromo-6-(trifluoromethoxy)hexane?
The InChIKey is FPBXJZWVPNMNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF3O/c8-5-3-1-2-4-6-12-7(9,10)11/h1-6H2.
What are the key properties of 1-bromo-6-(trifluoromethoxy)hexane?
1-bromo-6-(trifluoromethoxy)hexane has a molecular weight of 249.07 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(trifluoromethoxy)hexane is sourced from PubChem (CID 75529909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).