5-bromo-1,1,1,2-tetrafluoro-2-methylpentane

C6H9BrF4 — CID 58901253

IUPAC5-bromo-1,1,1,2-tetrafluoro-2-methylpentane
SMILESCC(F)(CCCBr)C(F)(F)F
InChIInChI=1S/C6H9BrF4/c1-5(8,3-2-4-7)6(9,10)11/h2-4H2,1H3
InChIKeyIDJMLCFNWFYVKX-UHFFFAOYSA-N
MW237.03 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane

5-bromo-1,1,1,2-tetrafluoro-2-methylpentane (PubChem CID 58901253) has the molecular formula C6H9BrF4 and a molecular weight of 237.03 g/mol. Its IUPAC name is 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane.

Molecular Properties

Compound Name5-bromo-1,1,1,2-tetrafluoro-2-methylpentane
PubChem CID58901253
Molecular FormulaC6H9BrF4
Molecular Weight237.03 g/mol
Exact Mass235.98
IUPAC Name5-bromo-1,1,1,2-tetrafluoro-2-methylpentane
SMILESCC(F)(CCCBr)C(F)(F)F
InChIInChI=1S/C6H9BrF4/c1-5(8,3-2-4-7)6(9,10)11/h2-4H2,1H3
InChIKeyIDJMLCFNWFYVKX-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.03
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane?
The IUPAC name of 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane (CID 58901253) is 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane.
What is the SMILES notation for 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane?
The canonical SMILES for 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane is CC(F)(CCCBr)C(F)(F)F.
What is the InChIKey of 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane?
The InChIKey is IDJMLCFNWFYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF4/c1-5(8,3-2-4-7)6(9,10)11/h2-4H2,1H3.
What are the key properties of 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane?
5-bromo-1,1,1,2-tetrafluoro-2-methylpentane has a molecular weight of 237.03 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,1,1,2-tetrafluoro-2-methylpentane is sourced from PubChem (CID 58901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).