(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane

C20H24BrF3O2Si — CID 91699427

IUPAC(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane
SMILESCCCCCO[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BrF3O2Si/c1-2-3-10-15-25-27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19(16-21)20(22,23)24/h4-9,11-14,19H,2-3,10,15-16H2,1H3
InChIKeyDNLFCPXPXYFRHQ-UHFFFAOYSA-N
MW461.39 g/mol
LogP4.79
Rot. Bonds10

About (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane

(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane (PubChem CID 91699427) has the molecular formula C20H24BrF3O2Si and a molecular weight of 461.39 g/mol. Its IUPAC name is (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane.

Molecular Properties

Compound Name(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane
PubChem CID91699427
Molecular FormulaC20H24BrF3O2Si
Molecular Weight461.39 g/mol
Exact Mass460.07
IUPAC Name(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane
SMILESCCCCCO[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24BrF3O2Si/c1-2-3-10-15-25-27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19(16-21)20(22,23)24/h4-9,11-14,19H,2-3,10,15-16H2,1H3
InChIKeyDNLFCPXPXYFRHQ-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Bromoethoxy)(tert-butyl)diphenylsilane
CID 10915442
(3-Bromopropoxy)(tert-butyl)diphenylsilane
CID 11245865
[(Z)-4-bromo-4-fluorobut-3-enoxy]-tert-butyl-diphenylsilane
CID 102071297
Silane, [(5-bromopentyl)oxy](1,1-dimethylethyl)diphenyl-
CID 10408998
Silane, diphenylisohexyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91698288
Silane, diphenyl(2,2,3,4,4,4-hexafluorobutoxy)isohexyloxy-
CID 91698383
Silane, diphenylheptyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699488
Silane, diphenyldi(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699655
Silane, diphenylhexyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699829
Silane, diphenylundecyloxy(1,1,1-trifluoro-3-bromoprop-2-yloxy)-
CID 91699830
Silane, diphenylethoxy(1,1,1-trifluoroprop-2-yloxy)-
CID 91703876
Silane, diphenyldi(2-fluoroethoxy)-
CID 91703880

Frequently Asked Questions

What is the IUPAC name of (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane?
The IUPAC name of (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane (CID 91699427) is (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane.
What is the SMILES notation for (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane?
The canonical SMILES for (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane is CCCCCO[Si](OC(CBr)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane?
The InChIKey is DNLFCPXPXYFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrF3O2Si/c1-2-3-10-15-25-27(17-11-6-4-7-12-17,18-13-8-5-9-14-18)26-19(16-21)20(22,23)24/h4-9,11-14,19H,2-3,10,15-16H2,1H3.
What are the key properties of (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane?
(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane has a molecular weight of 461.39 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-1,1,1-trifluoropropan-2-yl)oxy-pentoxy-diphenylsilane is sourced from PubChem (CID 91699427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).