1-bromo-3-fluoro-2-methylpropane

C4H8BrF — CID 72682751

IUPAC1-bromo-3-fluoro-2-methylpropane
SMILESCC(CF)CBr
InChIInChI=1S/C4H8BrF/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyHVQNMVPCBWQIJX-UHFFFAOYSA-N
MW155.01 g/mol
LogP1.99
Rot. Bonds2

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

1-bromo-3-fluoro-2-methylpropane (PubChem CID 72682751) has the molecular formula C4H8BrF and a molecular weight of 155.01 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-methylpropane.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-methylpropane
PubChem CID72682751
Molecular FormulaC4H8BrF
Molecular Weight155.01 g/mol
Exact Mass153.98
IUPAC Name1-bromo-3-fluoro-2-methylpropane
SMILESCC(CF)CBr
InChIInChI=1S/C4H8BrF/c1-4(2-5)3-6/h4H,2-3H2,1H3
InChIKeyHVQNMVPCBWQIJX-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.01
LogP ≤ 51.99
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 1-bromo-3-fluoro-2-methylpropane?
The IUPAC name of 1-bromo-3-fluoro-2-methylpropane (CID 72682751) is 1-bromo-3-fluoro-2-methylpropane.
What is the SMILES notation for 1-bromo-3-fluoro-2-methylpropane?
The canonical SMILES for 1-bromo-3-fluoro-2-methylpropane is CC(CF)CBr.
What is the InChIKey of 1-bromo-3-fluoro-2-methylpropane?
The InChIKey is HVQNMVPCBWQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrF/c1-4(2-5)3-6/h4H,2-3H2,1H3.
What are the key properties of 1-bromo-3-fluoro-2-methylpropane?
1-bromo-3-fluoro-2-methylpropane has a molecular weight of 155.01 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-methylpropane is sourced from PubChem (CID 72682751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).