1,1,2,3,3-pentabromo-1-fluoropropane

C3H2Br5F — CID 5463818

IUPAC1,1,2,3,3-pentabromo-1-fluoropropane
SMILESFC(Br)(Br)C(Br)C(Br)Br
InChIInChI=1S/C3H2Br5F/c4-1(2(5)6)3(7,8)9/h1-2H
InChIKeyUTZPJXGYAGKOAV-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.28
Rot. Bonds2

About 1,1,2,3,3-pentabromo-1-fluoropropane

1,1,2,3,3-pentabromo-1-fluoropropane (PubChem CID 5463818) has the molecular formula C3H2Br5F and a molecular weight of 456.57 g/mol. Its IUPAC name is 1,1,2,3,3-pentabromo-1-fluoropropane.

Molecular Properties

Compound Name1,1,2,3,3-pentabromo-1-fluoropropane
PubChem CID5463818
Molecular FormulaC3H2Br5F
Molecular Weight456.57 g/mol
Exact Mass451.61
IUPAC Name1,1,2,3,3-pentabromo-1-fluoropropane
SMILESFC(Br)(Br)C(Br)C(Br)Br
InChIInChI=1S/C3H2Br5F/c4-1(2(5)6)3(7,8)9/h1-2H
InChIKeyUTZPJXGYAGKOAV-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.28
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 1,1,2,3,3-pentabromo-1-fluoropropane?
The IUPAC name of 1,1,2,3,3-pentabromo-1-fluoropropane (CID 5463818) is 1,1,2,3,3-pentabromo-1-fluoropropane.
What is the SMILES notation for 1,1,2,3,3-pentabromo-1-fluoropropane?
The canonical SMILES for 1,1,2,3,3-pentabromo-1-fluoropropane is FC(Br)(Br)C(Br)C(Br)Br.
What is the InChIKey of 1,1,2,3,3-pentabromo-1-fluoropropane?
The InChIKey is UTZPJXGYAGKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br5F/c4-1(2(5)6)3(7,8)9/h1-2H.
What are the key properties of 1,1,2,3,3-pentabromo-1-fluoropropane?
1,1,2,3,3-pentabromo-1-fluoropropane has a molecular weight of 456.57 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentabromo-1-fluoropropane is sourced from PubChem (CID 5463818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).