(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane

C10H20BrFSi — CID 15314721

IUPAC(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane
SMILESC=CCC(F)(Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20BrFSi/c1-7-8-10(11,12)13(5,6)9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyVBDMTENSJQDQNX-UHFFFAOYSA-N
MW267.26 g/mol
LogP4.67
Rot. Bonds3

About (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane

(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane (PubChem CID 15314721) has the molecular formula C10H20BrFSi and a molecular weight of 267.26 g/mol. Its IUPAC name is (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane
PubChem CID15314721
Molecular FormulaC10H20BrFSi
Molecular Weight267.26 g/mol
Exact Mass266.05
IUPAC Name(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane
SMILESC=CCC(F)(Br)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20BrFSi/c1-7-8-10(11,12)13(5,6)9(2,3)4/h7H,1,8H2,2-6H3
InChIKeyVBDMTENSJQDQNX-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-Bromo-1-fluoro-4-methylpent-3-enyl)-tert-butyl-dimethylsilane
CID 15314727
(1-Bromo-1-fluorohex-5-enyl)-tert-butyl-dimethylsilane
CID 15314728
Tert-butyl-(1,4-dibromobut-3-en-2-yl)-dimethylsilane
CID 173552730
[(E)-4-bromobut-1-enyl]-triethylsilane
CID 44472484

Frequently Asked Questions

What is the IUPAC name of (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane?
The IUPAC name of (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane (CID 15314721) is (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane?
The canonical SMILES for (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane is C=CCC(F)(Br)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane?
The InChIKey is VBDMTENSJQDQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrFSi/c1-7-8-10(11,12)13(5,6)9(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane?
(1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane has a molecular weight of 267.26 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-1-fluorobut-3-enyl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 15314721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).