1,1-dibromo-1,3-difluoropropane

C3H4Br2F2 — CID 165362218

IUPAC1,1-dibromo-1,3-difluoropropane
SMILESFCCC(F)(Br)Br
InChIInChI=1S/C3H4Br2F2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyPUBQOPBIXMTIMT-UHFFFAOYSA-N
MW237.87 g/mol
LogP2.76
Rot. Bonds2

About 1,1-dibromo-1,3-difluoropropane

1,1-dibromo-1,3-difluoropropane (PubChem CID 165362218) has the molecular formula C3H4Br2F2 and a molecular weight of 237.87 g/mol. Its IUPAC name is 1,1-dibromo-1,3-difluoropropane.

Molecular Properties

Compound Name1,1-dibromo-1,3-difluoropropane
PubChem CID165362218
Molecular FormulaC3H4Br2F2
Molecular Weight237.87 g/mol
Exact Mass235.86
IUPAC Name1,1-dibromo-1,3-difluoropropane
SMILESFCCC(F)(Br)Br
InChIInChI=1S/C3H4Br2F2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyPUBQOPBIXMTIMT-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.87
LogP ≤ 52.76
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 1,1-dibromo-1,3-difluoropropane?
The IUPAC name of 1,1-dibromo-1,3-difluoropropane (CID 165362218) is 1,1-dibromo-1,3-difluoropropane.
What is the SMILES notation for 1,1-dibromo-1,3-difluoropropane?
The canonical SMILES for 1,1-dibromo-1,3-difluoropropane is FCCC(F)(Br)Br.
What is the InChIKey of 1,1-dibromo-1,3-difluoropropane?
The InChIKey is PUBQOPBIXMTIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2F2/c4-3(5,7)1-2-6/h1-2H2.
What are the key properties of 1,1-dibromo-1,3-difluoropropane?
1,1-dibromo-1,3-difluoropropane has a molecular weight of 237.87 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,3-difluoropropane is sourced from PubChem (CID 165362218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).