1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane

C3Br3F3I2 — CID 175096887

IUPAC1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane
SMILESFC(F)(F)C(Br)(Br)C(Br)(I)I
InChIInChI=1S/C3Br3F3I2/c4-1(5,2(6,10)11)3(7,8)9
InChIKeyVSLUWIXSZZJWEJ-UHFFFAOYSA-N
MW586.55 g/mol
LogP4.95
Rot. Bonds1

About 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane

1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane (PubChem CID 175096887) has the molecular formula C3Br3F3I2 and a molecular weight of 586.55 g/mol. Its IUPAC name is 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane.

Molecular Properties

Compound Name1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane
PubChem CID175096887
Molecular FormulaC3Br3F3I2
Molecular Weight586.55 g/mol
Exact Mass583.56
IUPAC Name1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane
SMILESFC(F)(F)C(Br)(Br)C(Br)(I)I
InChIInChI=1S/C3Br3F3I2/c4-1(5,2(6,10)11)3(7,8)9
InChIKeyVSLUWIXSZZJWEJ-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.55
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane?
The IUPAC name of 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane (CID 175096887) is 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane.
What is the SMILES notation for 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane?
The canonical SMILES for 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane is FC(F)(F)C(Br)(Br)C(Br)(I)I.
What is the InChIKey of 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane?
The InChIKey is VSLUWIXSZZJWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Br3F3I2/c4-1(5,2(6,10)11)3(7,8)9.
What are the key properties of 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane?
1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane has a molecular weight of 586.55 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-tribromo-3,3,3-trifluoro-1,1-diiodopropane is sourced from PubChem (CID 175096887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).