[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate

C16H21F9O6Si — CID 175690446

IUPAC[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate
SMILESCCCCCCCCCC[Si](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C16H21F9O6Si/c1-2-3-4-5-6-7-8-9-10-32(29-11(26)14(17,18)19,30-12(27)15(20,21)22)31-13(28)16(23,24)25/h2-10H2,1H3
InChIKeyNTEKSMCSTHSKRI-UHFFFAOYSA-N
MW508.41 g/mol
LogP5.38
Rot. Bonds12

About [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate

[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate (PubChem CID 175690446) has the molecular formula C16H21F9O6Si and a molecular weight of 508.41 g/mol. Its IUPAC name is [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate
PubChem CID175690446
Molecular FormulaC16H21F9O6Si
Molecular Weight508.41 g/mol
Exact Mass508.10
IUPAC Name[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate
SMILESCCCCCCCCCC[Si](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C16H21F9O6Si/c1-2-3-4-5-6-7-8-9-10-32(29-11(26)14(17,18)19,30-12(27)15(20,21)22)31-13(28)16(23,24)25/h2-10H2,1H3
InChIKeyNTEKSMCSTHSKRI-UHFFFAOYSA-N
XLogP5.38
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
(2,2,2-trifluoroacetyl) nonanoate
CID 18429125
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
(2,2,2-trifluoroacetyl) decanoate
CID 18429126
triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
2-methyloctan-2-yl 2,2,2-trifluoroacetate
CID 131843846
2,2,2-trifluoro-N-[heptyl(dimethyl)silyl]-N-methylacetamide
CID 175690640
tridecan-2-yl 2,2,2-trifluoroacetate
CID 536345
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034042

Frequently Asked Questions

What is the IUPAC name of [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate?
The IUPAC name of [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate (CID 175690446) is [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate is CCCCCCCCCC[Si](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.
What is the InChIKey of [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate?
The InChIKey is NTEKSMCSTHSKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F9O6Si/c1-2-3-4-5-6-7-8-9-10-32(29-11(26)14(17,18)19,30-12(27)15(20,21)22)31-13(28)16(23,24)25/h2-10H2,1H3.
What are the key properties of [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate?
[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate has a molecular weight of 508.41 g/mol, XLogP of 5.38, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 175690446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).