butan-2-yl-ditert-butyl-fluorosilane

C12H27FSi — CID 15646734

IUPACbutan-2-yl-ditert-butyl-fluorosilane
SMILESCCC(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27FSi/c1-9-10(2)14(13,11(3,4)5)12(6,7)8/h10H,9H2,1-8H3
InChIKeyGMKXCNBAXGGDJO-UHFFFAOYSA-N
MW218.43 g/mol
LogP5.30
Rot. Bonds2

About butan-2-yl-ditert-butyl-fluorosilane

butan-2-yl-ditert-butyl-fluorosilane (PubChem CID 15646734) has the molecular formula C12H27FSi and a molecular weight of 218.43 g/mol. Its IUPAC name is butan-2-yl-ditert-butyl-fluorosilane.

Molecular Properties

Compound Namebutan-2-yl-ditert-butyl-fluorosilane
PubChem CID15646734
Molecular FormulaC12H27FSi
Molecular Weight218.43 g/mol
Exact Mass218.19
IUPAC Namebutan-2-yl-ditert-butyl-fluorosilane
SMILESCCC(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27FSi/c1-9-10(2)14(13,11(3,4)5)12(6,7)8/h10H,9H2,1-8H3
InChIKeyGMKXCNBAXGGDJO-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.43
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triisopropylsilane
CID 6327611
Triisobutylsilane
CID 11019901
Tripropylsilane
CID 6327709
Di-t-butyldifluorosilane
CID 11275379
(tert-Butyldimethylsilyl)acetylene
CID 2757281
Tributylsilane
CID 6327711
Tributyl(fluoro)silane
CID 238539
Fluorotripropylsilane
CID 23235506
Tri-t-butylsilane
CID 6394122
(5-Fluoropentyl)(trimethyl)silane
CID 21731165
Silane, trimethyl-tert-butyl-
CID 138408
Tert-butyldimethylsilyl fluoride
CID 11263517

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-ditert-butyl-fluorosilane?
The IUPAC name of butan-2-yl-ditert-butyl-fluorosilane (CID 15646734) is butan-2-yl-ditert-butyl-fluorosilane.
What is the SMILES notation for butan-2-yl-ditert-butyl-fluorosilane?
The canonical SMILES for butan-2-yl-ditert-butyl-fluorosilane is CCC(C)[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of butan-2-yl-ditert-butyl-fluorosilane?
The InChIKey is GMKXCNBAXGGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27FSi/c1-9-10(2)14(13,11(3,4)5)12(6,7)8/h10H,9H2,1-8H3.
What are the key properties of butan-2-yl-ditert-butyl-fluorosilane?
butan-2-yl-ditert-butyl-fluorosilane has a molecular weight of 218.43 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-ditert-butyl-fluorosilane is sourced from PubChem (CID 15646734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).