1,3-dibromo-1,1,3,3-tetrafluoropropane

C3H2Br2F4 — CID 2736792

IUPAC1,3-dibromo-1,1,3,3-tetrafluoropropane
SMILESFC(F)(Br)CC(F)(F)Br
InChIInChI=1S/C3H2Br2F4/c4-2(6,7)1-3(5,8)9/h1H2
InChIKeyQYJHTUXTDYICGI-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.35
Rot. Bonds2

About 1,3-dibromo-1,1,3,3-tetrafluoropropane

1,3-dibromo-1,1,3,3-tetrafluoropropane (PubChem CID 2736792) has the molecular formula C3H2Br2F4 and a molecular weight of 273.85 g/mol. Its IUPAC name is 1,3-dibromo-1,1,3,3-tetrafluoropropane.

Molecular Properties

Compound Name1,3-dibromo-1,1,3,3-tetrafluoropropane
PubChem CID2736792
Molecular FormulaC3H2Br2F4
Molecular Weight273.85 g/mol
Exact Mass271.85
IUPAC Name1,3-dibromo-1,1,3,3-tetrafluoropropane
SMILESFC(F)(Br)CC(F)(F)Br
InChIInChI=1S/C3H2Br2F4/c4-2(6,7)1-3(5,8)9/h1H2
InChIKeyQYJHTUXTDYICGI-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.35
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 1,3-dibromo-1,1,3,3-tetrafluoropropane?
The IUPAC name of 1,3-dibromo-1,1,3,3-tetrafluoropropane (CID 2736792) is 1,3-dibromo-1,1,3,3-tetrafluoropropane.
What is the SMILES notation for 1,3-dibromo-1,1,3,3-tetrafluoropropane?
The canonical SMILES for 1,3-dibromo-1,1,3,3-tetrafluoropropane is FC(F)(Br)CC(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1,3,3-tetrafluoropropane?
The InChIKey is QYJHTUXTDYICGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br2F4/c4-2(6,7)1-3(5,8)9/h1H2.
What are the key properties of 1,3-dibromo-1,1,3,3-tetrafluoropropane?
1,3-dibromo-1,1,3,3-tetrafluoropropane has a molecular weight of 273.85 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-1,1,3,3-tetrafluoropropane is sourced from PubChem (CID 2736792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).