2-bromo-1,1-difluoro-2-methylpropane

C4H7BrF2 — CID 139401194

IUPAC2-bromo-1,1-difluoro-2-methylpropane
SMILESCC(C)(Br)C(F)F
InChIInChI=1S/C4H7BrF2/c1-4(2,5)3(6)7/h3H,1-2H3
InChIKeyLRGNDEDCJIEYPD-UHFFFAOYSA-N
MW173.00 g/mol
LogP2.42
Rot. Bonds1

About 2-bromo-1,1-difluoro-2-methylpropane

2-bromo-1,1-difluoro-2-methylpropane (PubChem CID 139401194) has the molecular formula C4H7BrF2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 2-bromo-1,1-difluoro-2-methylpropane.

Molecular Properties

Compound Name2-bromo-1,1-difluoro-2-methylpropane
PubChem CID139401194
Molecular FormulaC4H7BrF2
Molecular Weight173.00 g/mol
Exact Mass171.97
IUPAC Name2-bromo-1,1-difluoro-2-methylpropane
SMILESCC(C)(Br)C(F)F
InChIInChI=1S/C4H7BrF2/c1-4(2,5)3(6)7/h3H,1-2H3
InChIKeyLRGNDEDCJIEYPD-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.00
LogP ≤ 52.42
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 2-bromo-1,1-difluoro-2-methylpropane?
The IUPAC name of 2-bromo-1,1-difluoro-2-methylpropane (CID 139401194) is 2-bromo-1,1-difluoro-2-methylpropane.
What is the SMILES notation for 2-bromo-1,1-difluoro-2-methylpropane?
The canonical SMILES for 2-bromo-1,1-difluoro-2-methylpropane is CC(C)(Br)C(F)F.
What is the InChIKey of 2-bromo-1,1-difluoro-2-methylpropane?
The InChIKey is LRGNDEDCJIEYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BrF2/c1-4(2,5)3(6)7/h3H,1-2H3.
What are the key properties of 2-bromo-1,1-difluoro-2-methylpropane?
2-bromo-1,1-difluoro-2-methylpropane has a molecular weight of 173.00 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluoro-2-methylpropane is sourced from PubChem (CID 139401194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).