4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane

C4H3BrF5I — CID 22613639

IUPAC4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
SMILESFC(F)(F)C(F)(F)C(I)CBr
InChIInChI=1S/C4H3BrF5I/c5-1-2(11)3(6,7)4(8,9)10/h2H,1H2
InChIKeyGGFHBNXGTWVPHP-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.38
Rot. Bonds2

About 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane

4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane (PubChem CID 22613639) has the molecular formula C4H3BrF5I and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane.

Molecular Properties

Compound Name4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
PubChem CID22613639
Molecular FormulaC4H3BrF5I
Molecular Weight352.87 g/mol
Exact Mass351.84
IUPAC Name4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
SMILESFC(F)(F)C(F)(F)C(I)CBr
InChIInChI=1S/C4H3BrF5I/c5-1-2(11)3(6,7)4(8,9)10/h2H,1H2
InChIKeyGGFHBNXGTWVPHP-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.38
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane?
The IUPAC name of 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane (CID 22613639) is 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane.
What is the SMILES notation for 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane?
The canonical SMILES for 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane is FC(F)(F)C(F)(F)C(I)CBr.
What is the InChIKey of 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane?
The InChIKey is GGFHBNXGTWVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF5I/c5-1-2(11)3(6,7)4(8,9)10/h2H,1H2.
What are the key properties of 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane?
4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane has a molecular weight of 352.87 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane is sourced from PubChem (CID 22613639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).