1-bromo-12-fluorododecane

C12H24BrF — CID 9617

IUPAC1-bromo-12-fluorododecane
SMILESFCCCCCCCCCCCCBr
InChIInChI=1S/C12H24BrF/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKeyODTDDHSZGZDGLM-UHFFFAOYSA-N
MW267.23 g/mol
LogP5.25
Rot. Bonds11

About 1-bromo-12-fluorododecane

1-bromo-12-fluorododecane (PubChem CID 9617) has the molecular formula C12H24BrF and a molecular weight of 267.23 g/mol. Its IUPAC name is 1-bromo-12-fluorododecane.

Molecular Properties

Compound Name1-bromo-12-fluorododecane
PubChem CID9617
Molecular FormulaC12H24BrF
Molecular Weight267.23 g/mol
Exact Mass266.10
IUPAC Name1-bromo-12-fluorododecane
SMILESFCCCCCCCCCCCCBr
InChIInChI=1S/C12H24BrF/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKeyODTDDHSZGZDGLM-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.23
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-12-fluorododecane?
The IUPAC name of 1-bromo-12-fluorododecane (CID 9617) is 1-bromo-12-fluorododecane.
What is the SMILES notation for 1-bromo-12-fluorododecane?
The canonical SMILES for 1-bromo-12-fluorododecane is FCCCCCCCCCCCCBr.
What is the InChIKey of 1-bromo-12-fluorododecane?
The InChIKey is ODTDDHSZGZDGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrF/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2.
What are the key properties of 1-bromo-12-fluorododecane?
1-bromo-12-fluorododecane has a molecular weight of 267.23 g/mol, XLogP of 5.25, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-12-fluorododecane is sourced from PubChem (CID 9617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).