tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane

C19H25FOSi — CID 23553285

IUPACtert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H25FOSi/c1-19(2,3)22(4,5)21-18-11-9-15(10-12-18)13-16-7-6-8-17(20)14-16/h6-12,14H,13H2,1-5H3
InChIKeyGPNZVHLCQZMOJM-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.80
Rot. Bonds4

About tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane

tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane (PubChem CID 23553285) has the molecular formula C19H25FOSi and a molecular weight of 316.49 g/mol. Its IUPAC name is tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane
PubChem CID23553285
Molecular FormulaC19H25FOSi
Molecular Weight316.49 g/mol
Exact Mass316.17
IUPAC Nametert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Cc2cccc(F)c2)cc1
InChIInChI=1S/C19H25FOSi/c1-19(2,3)22(4,5)21-18-11-9-15(10-12-18)13-16-7-6-8-17(20)14-16/h6-12,14H,13H2,1-5H3
InChIKeyGPNZVHLCQZMOJM-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane (CID 23553285) is tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(Cc2cccc(F)c2)cc1.
What is the InChIKey of tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane?
The InChIKey is GPNZVHLCQZMOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FOSi/c1-19(2,3)22(4,5)21-18-11-9-15(10-12-18)13-16-7-6-8-17(20)14-16/h6-12,14H,13H2,1-5H3.
What are the key properties of tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane?
tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane has a molecular weight of 316.49 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(3-fluorophenyl)methyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 23553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).