1-bromo-2-fluoro-3-methoxy-2-methylpropane

C5H10BrFO — CID 162403320

IUPAC1-bromo-2-fluoro-3-methoxy-2-methylpropane
SMILESCOCC(C)(F)CBr
InChIInChI=1S/C5H10BrFO/c1-5(7,3-6)4-8-2/h3-4H2,1-2H3
InChIKeyFTVBMVGUXUFKNB-UHFFFAOYSA-N
MW185.04 g/mol
LogP1.76
Rot. Bonds3

About 1-bromo-2-fluoro-3-methoxy-2-methylpropane

1-bromo-2-fluoro-3-methoxy-2-methylpropane (PubChem CID 162403320) has the molecular formula C5H10BrFO and a molecular weight of 185.04 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-methoxy-2-methylpropane.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-methoxy-2-methylpropane
PubChem CID162403320
Molecular FormulaC5H10BrFO
Molecular Weight185.04 g/mol
Exact Mass183.99
IUPAC Name1-bromo-2-fluoro-3-methoxy-2-methylpropane
SMILESCOCC(C)(F)CBr
InChIInChI=1S/C5H10BrFO/c1-5(7,3-6)4-8-2/h3-4H2,1-2H3
InChIKeyFTVBMVGUXUFKNB-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-bromo-2-fluoro-3-methoxy-2-methylpropane?
The IUPAC name of 1-bromo-2-fluoro-3-methoxy-2-methylpropane (CID 162403320) is 1-bromo-2-fluoro-3-methoxy-2-methylpropane.
What is the SMILES notation for 1-bromo-2-fluoro-3-methoxy-2-methylpropane?
The canonical SMILES for 1-bromo-2-fluoro-3-methoxy-2-methylpropane is COCC(C)(F)CBr.
What is the InChIKey of 1-bromo-2-fluoro-3-methoxy-2-methylpropane?
The InChIKey is FTVBMVGUXUFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrFO/c1-5(7,3-6)4-8-2/h3-4H2,1-2H3.
What are the key properties of 1-bromo-2-fluoro-3-methoxy-2-methylpropane?
1-bromo-2-fluoro-3-methoxy-2-methylpropane has a molecular weight of 185.04 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-3-methoxy-2-methylpropane is sourced from PubChem (CID 162403320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).