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

C21H27F3O2Si — CID 91733110

IUPAChexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F3O2Si/c1-3-4-5-12-17-25-27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18(2)21(22,23)24/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKeySUDVKNQCTVSOBH-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.81
Rot. Bonds10

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

hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91733110) has the molecular formula C21H27F3O2Si and a molecular weight of 396.53 g/mol. Its IUPAC name is hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Namehexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91733110
Molecular FormulaC21H27F3O2Si
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Namehexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F3O2Si/c1-3-4-5-12-17-25-27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18(2)21(22,23)24/h6-11,13-16,18H,3-5,12,17H2,1-2H3
InChIKeySUDVKNQCTVSOBH-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.81
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

(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-diphenyl-undecoxysilane
CID 91699830
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptadecoxy-hexan-3-yloxy-diphenylsilane
CID 91745287
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
hexan-3-yloxy-diphenyl-undecoxysilane
CID 91743620
2-methylpentan-3-yloxy-pentoxy-diphenylsilane
CID 91740058
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
CID 91733059
2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
CID 91733049
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520

Frequently Asked Questions

What is the IUPAC name of hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91733110) is hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is SUDVKNQCTVSOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3O2Si/c1-3-4-5-12-17-25-27(19-13-8-6-9-14-19,20-15-10-7-11-16-20)26-18(2)21(22,23)24/h6-11,13-16,18H,3-5,12,17H2,1-2H3.
What are the key properties of hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 396.53 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).