tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane

C25H34F2O3Si — CID 175967985

IUPACtert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC(F)(F)CCO[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34F2O3Si/c1-24(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)30-20-25(26,27)17-19-29-23-16-10-11-18-28-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23-/m1/s1
InChIKeyITTCIHFTQHROTR-HSZRJFAPSA-N
MW448.63 g/mol
LogP5.13
Rot. Bonds9

About tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane

tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane (PubChem CID 175967985) has the molecular formula C25H34F2O3Si and a molecular weight of 448.63 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
PubChem CID175967985
Molecular FormulaC25H34F2O3Si
Molecular Weight448.63 g/mol
Exact Mass448.22
IUPAC Nametert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC(F)(F)CCO[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34F2O3Si/c1-24(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)30-20-25(26,27)17-19-29-23-16-10-11-18-28-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23-/m1/s1
InChIKeyITTCIHFTQHROTR-HSZRJFAPSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-diphenyl-[10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
CID 14673142
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-yn-2-yl]oxysilane
CID 14673143
1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-en-2-yl]oxysilane
CID 67913893
tert-butyl-[(2S,3S,4S,6S)-3-fluoro-2-(iodomethyl)-6-methoxyoxan-4-yl]oxy-diphenylsilane
CID 70364149
Tert-butyldiphenyl((2-(trifluoromethyl)-1,3-dioxan-5-yl)methoxy)silane
CID 131747543
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
CID 139774217
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
tert-butyl-[(E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-enoxy]-diphenylsilane
CID 171813177
tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
CID 172679891
[(2R,3R,4R)-3-butoxy-4-fluoro-5-methoxyoxolan-2-yl]methoxy-tert-butyl-diphenylsilane
CID 173614204
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane (CID 175967985) is tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane is CC(C)(C)[Si](OCC(F)(F)CCO[C@@H]1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane?
The InChIKey is ITTCIHFTQHROTR-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34F2O3Si/c1-24(2,3)31(21-12-6-4-7-13-21,22-14-8-5-9-15-22)30-20-25(26,27)17-19-29-23-16-10-11-18-28-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23-/m1/s1.
What are the key properties of tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane?
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane has a molecular weight of 448.63 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane is sourced from PubChem (CID 175967985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).