1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene

C9H6Br2F4 — CID 86028337

IUPAC1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene
SMILESFC(F)(Br)C(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C9H6Br2F4/c10-7-3-1-6(2-4-7)5-8(12,13)9(11,14)15/h1-4H,5H2
InChIKeyVVFPUIGQBKXOOB-UHFFFAOYSA-N
MW349.95 g/mol
LogP4.61
Rot. Bonds3

About 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene

1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene (PubChem CID 86028337) has the molecular formula C9H6Br2F4 and a molecular weight of 349.95 g/mol. Its IUPAC name is 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene
PubChem CID86028337
Molecular FormulaC9H6Br2F4
Molecular Weight349.95 g/mol
Exact Mass347.88
IUPAC Name1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene
SMILESFC(F)(Br)C(F)(F)Cc1ccc(Br)cc1
InChIInChI=1S/C9H6Br2F4/c10-7-3-1-6(2-4-7)5-8(12,13)9(11,14)15/h1-4H,5H2
InChIKeyVVFPUIGQBKXOOB-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.95
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene?
The IUPAC name of 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene (CID 86028337) is 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene?
The canonical SMILES for 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene is FC(F)(Br)C(F)(F)Cc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene?
The InChIKey is VVFPUIGQBKXOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2F4/c10-7-3-1-6(2-4-7)5-8(12,13)9(11,14)15/h1-4H,5H2.
What are the key properties of 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene?
1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene has a molecular weight of 349.95 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromo-2,2,3,3-tetrafluoropropyl)benzene is sourced from PubChem (CID 86028337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).