(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane

C7H9BrF4 — CID 15524382

IUPAC(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane
SMILESFC(F)(Br)C(F)(F)CCC1CC1
InChIInChI=1S/C7H9BrF4/c8-7(11,12)6(9,10)4-3-5-1-2-5/h5H,1-4H2
InChIKeyQPNCEVWINREQPM-UHFFFAOYSA-N
MW249.04 g/mol
LogP3.80
Rot. Bonds4

About (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane

(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane (PubChem CID 15524382) has the molecular formula C7H9BrF4 and a molecular weight of 249.04 g/mol. Its IUPAC name is (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane.

Molecular Properties

Compound Name(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane
PubChem CID15524382
Molecular FormulaC7H9BrF4
Molecular Weight249.04 g/mol
Exact Mass247.98
IUPAC Name(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane
SMILESFC(F)(Br)C(F)(F)CCC1CC1
InChIInChI=1S/C7H9BrF4/c8-7(11,12)6(9,10)4-3-5-1-2-5/h5H,1-4H2
InChIKeyQPNCEVWINREQPM-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.04
LogP ≤ 53.80
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 (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane?
The IUPAC name of (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane (CID 15524382) is (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane.
What is the SMILES notation for (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane?
The canonical SMILES for (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane is FC(F)(Br)C(F)(F)CCC1CC1.
What is the InChIKey of (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane?
The InChIKey is QPNCEVWINREQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF4/c8-7(11,12)6(9,10)4-3-5-1-2-5/h5H,1-4H2.
What are the key properties of (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane?
(4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane has a molecular weight of 249.04 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,3,4,4-tetrafluorobutyl)cyclopropane is sourced from PubChem (CID 15524382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).