[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane

C13H24BrFSi — CID 102245944

IUPAC[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
SMILESC=C(/C(Br)=C/F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24BrFSi/c1-9(2)16(10(3)4,11(5)6)12(7)13(14)8-15/h8-11H,7H2,1-6H3/b13-8-
InChIKeyZTDFUKPLLCALIW-JYRVWZFOSA-N
MW307.32 g/mol
LogP5.97
Rot. Bonds5

About [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane

[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane (PubChem CID 102245944) has the molecular formula C13H24BrFSi and a molecular weight of 307.32 g/mol. Its IUPAC name is [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
PubChem CID102245944
Molecular FormulaC13H24BrFSi
Molecular Weight307.32 g/mol
Exact Mass306.08
IUPAC Name[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane
SMILESC=C(/C(Br)=C/F)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C13H24BrFSi/c1-9(2)16(10(3)4,11(5)6)12(7)13(14)8-15/h8-11H,7H2,1-6H3/b13-8-
InChIKeyZTDFUKPLLCALIW-JYRVWZFOSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.32
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3-bromo-4-(2,3-difluoropropoxy)-N-propan-2-ylpenta-2,4-dien-1-amine
CID 134449509
(2Z,4E)-5-bromo-7-methyl-6-methylideneocta-2,4-diene
CID 172586692
3-(difluoromethylidene)non-1-en-4-yn-2-yl-tri(propan-2-yl)silane
CID 11359332
[(1Z)-2-bromobuta-1,3-dienyl]-tri(propan-2-yl)silane
CID 164665145
1-bromo-1,2-difluoroethene;methylphosphonic acid
CID 174792824
[3-methyl-1-tri(propan-2-yl)silyloxybuta-1,3-dienoxy]-tri(propan-2-yl)silane
CID 102163574
1-phenylethenyl-tri(propan-2-yl)silane
CID 102241725
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
tri(propan-2-yl)silylformamide
CID 142699855
(3E)-4-bromo-2-(difluoromethyl)penta-1,3-diene
CID 118401640
(3E)-2-bromo-3-(difluoromethoxy)-6-methylhepta-1,3,5-triene
CID 139376911
bis(1-bromoethenyl)-dimethylsilane
CID 11644721

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The IUPAC name of [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane (CID 102245944) is [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane is C=C(/C(Br)=C/F)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
The InChIKey is ZTDFUKPLLCALIW-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H24BrFSi/c1-9(2)16(10(3)4,11(5)6)12(7)13(14)8-15/h8-11H,7H2,1-6H3/b13-8-.
What are the key properties of [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane?
[(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane has a molecular weight of 307.32 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-bromo-4-fluorobuta-1,3-dien-2-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 102245944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).