1,3-dibromo-1,1,3-trifluoropropane

C3H3Br2F3 — CID 45075709

IUPAC1,3-dibromo-1,1,3-trifluoropropane
SMILESFC(Br)CC(F)(F)Br
InChIInChI=1S/C3H3Br2F3/c4-2(6)1-3(5,7)8/h2H,1H2
InChIKeyKUGXARLZCNNOIV-UHFFFAOYSA-N
MW255.86 g/mol
LogP3.05
Rot. Bonds2

About 1,3-dibromo-1,1,3-trifluoropropane

1,3-dibromo-1,1,3-trifluoropropane (PubChem CID 45075709) has the molecular formula C3H3Br2F3 and a molecular weight of 255.86 g/mol. Its IUPAC name is 1,3-dibromo-1,1,3-trifluoropropane.

Molecular Properties

Compound Name1,3-dibromo-1,1,3-trifluoropropane
PubChem CID45075709
Molecular FormulaC3H3Br2F3
Molecular Weight255.86 g/mol
Exact Mass253.86
IUPAC Name1,3-dibromo-1,1,3-trifluoropropane
SMILESFC(Br)CC(F)(F)Br
InChIInChI=1S/C3H3Br2F3/c4-2(6)1-3(5,7)8/h2H,1H2
InChIKeyKUGXARLZCNNOIV-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.86
LogP ≤ 53.05
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-trifluoropropane?
The IUPAC name of 1,3-dibromo-1,1,3-trifluoropropane (CID 45075709) is 1,3-dibromo-1,1,3-trifluoropropane.
What is the SMILES notation for 1,3-dibromo-1,1,3-trifluoropropane?
The canonical SMILES for 1,3-dibromo-1,1,3-trifluoropropane is FC(Br)CC(F)(F)Br.
What is the InChIKey of 1,3-dibromo-1,1,3-trifluoropropane?
The InChIKey is KUGXARLZCNNOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Br2F3/c4-2(6)1-3(5,7)8/h2H,1H2.
What are the key properties of 1,3-dibromo-1,1,3-trifluoropropane?
1,3-dibromo-1,1,3-trifluoropropane has a molecular weight of 255.86 g/mol, XLogP of 3.05, 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-trifluoropropane is sourced from PubChem (CID 45075709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).