ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane

C19H32FIOSi — CID 10983233

IUPACditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane
SMILESCC(C)(C)[Si](F)(OC(CCI)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32FIOSi/c1-18(2,3)23(20,19(4,5)6)22-17(14-15-21)13-12-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyYCTGCDFORZKUPU-UHFFFAOYSA-N
MW450.45 g/mol
LogP6.84
Rot. Bonds7

About ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane

ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane (PubChem CID 10983233) has the molecular formula C19H32FIOSi and a molecular weight of 450.45 g/mol. Its IUPAC name is ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane.

Molecular Properties

Compound Nameditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane
PubChem CID10983233
Molecular FormulaC19H32FIOSi
Molecular Weight450.45 g/mol
Exact Mass450.13
IUPAC Nameditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane
SMILESCC(C)(C)[Si](F)(OC(CCI)CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C19H32FIOSi/c1-18(2,3)23(20,19(4,5)6)22-17(14-15-21)13-12-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3
InChIKeyYCTGCDFORZKUPU-UHFFFAOYSA-N
XLogP6.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.45
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane?
The IUPAC name of ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane (CID 10983233) is ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane.
What is the SMILES notation for ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane?
The canonical SMILES for ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane is CC(C)(C)[Si](F)(OC(CCI)CCc1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane?
The InChIKey is YCTGCDFORZKUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FIOSi/c1-18(2,3)23(20,19(4,5)6)22-17(14-15-21)13-12-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3.
What are the key properties of ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane?
ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane has a molecular weight of 450.45 g/mol, XLogP of 6.84, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-fluoro-(1-iodo-5-phenylpentan-3-yl)oxysilane is sourced from PubChem (CID 10983233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).