butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

C19H23F3O2Si — CID 91717510

IUPACbutoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23F3O2Si/c1-3-4-15-23-25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16(2)19(20,21)22/h5-14,16H,3-4,15H2,1-2H3
InChIKeyWNAJGEODCYFVAM-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.03
Rot. Bonds8

About butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91717510) has the molecular formula C19H23F3O2Si and a molecular weight of 368.47 g/mol. Its IUPAC name is butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Namebutoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91717510
Molecular FormulaC19H23F3O2Si
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Namebutoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23F3O2Si/c1-3-4-15-23-25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16(2)19(20,21)22/h5-14,16H,3-4,15H2,1-2H3
InChIKeyWNAJGEODCYFVAM-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87366
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Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Diphenyl-dipropoxy-silane
CID 14324871
triphenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]silane
CID 11268714
[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
CID 102071297
(3,4-Difluorophenyl)-triethoxysilane
CID 12006362
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
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Tert-butyl-[(3-fluorooxetan-3-yl)methoxy]-diphenylsilane
CID 138971939

Frequently Asked Questions

What is the IUPAC name of butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91717510) is butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is WNAJGEODCYFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3O2Si/c1-3-4-15-23-25(17-11-7-5-8-12-17,18-13-9-6-10-14-18)24-16(2)19(20,21)22/h5-14,16H,3-4,15H2,1-2H3.
What are the key properties of butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 368.47 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91717510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).