tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane

C19H29F2NO2Si — CID 175019477

IUPACtert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C/Cc1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H29F2NO2Si/c1-19(2,3)25(4,5)24-10-6-7-15-13-16(20)18(17(21)14-15)22-8-11-23-12-9-22/h6,10,13-14H,7-9,11-12H2,1-5H3/b10-6+
InChIKeyNFJRYEBIVILMOH-UXBLZVDNSA-N
MW369.53 g/mol
LogP4.88
Rot. Bonds5

About tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane

tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane (PubChem CID 175019477) has the molecular formula C19H29F2NO2Si and a molecular weight of 369.53 g/mol. Its IUPAC name is tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane
PubChem CID175019477
Molecular FormulaC19H29F2NO2Si
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Nametert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O/C=C/Cc1cc(F)c(N2CCOCC2)c(F)c1
InChIInChI=1S/C19H29F2NO2Si/c1-19(2,3)25(4,5)24-10-6-7-15-13-16(20)18(17(21)14-15)22-8-11-23-12-9-22/h6,10,13-14H,7-9,11-12H2,1-5H3/b10-6+
InChIKeyNFJRYEBIVILMOH-UXBLZVDNSA-N
XLogP4.88
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane (CID 175019477) is tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)O/C=C/Cc1cc(F)c(N2CCOCC2)c(F)c1.
What is the InChIKey of tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane?
The InChIKey is NFJRYEBIVILMOH-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H29F2NO2Si/c1-19(2,3)25(4,5)24-10-6-7-15-13-16(20)18(17(21)14-15)22-8-11-23-12-9-22/h6,10,13-14H,7-9,11-12H2,1-5H3/b10-6+.
What are the key properties of tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane?
tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane has a molecular weight of 369.53 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)prop-1-enoxy]-dimethylsilane is sourced from PubChem (CID 175019477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).