[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite

C15H33F5O7Si3 — CID 123801798

IUPAC[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite
SMILESCO[Si](CC[Si](C)(CCC(F)(OF)C(F)(F)F)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H33F5O7Si3/c1-21-29(22-2,23-3)12-10-28(7,11-13-30(24-4,25-5)26-6)9-8-14(16,27-20)15(17,18)19/h8-13H2,1-7H3
InChIKeyXELXDLZOCCCXTN-UHFFFAOYSA-N
MW504.67 g/mol
LogP4.34
Rot. Bonds16

About [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite

[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite (PubChem CID 123801798) has the molecular formula C15H33F5O7Si3 and a molecular weight of 504.67 g/mol. Its IUPAC name is [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite
PubChem CID123801798
Molecular FormulaC15H33F5O7Si3
Molecular Weight504.67 g/mol
Exact Mass504.15
IUPAC Name[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite
SMILESCO[Si](CC[Si](C)(CCC(F)(OF)C(F)(F)F)CC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C15H33F5O7Si3/c1-21-29(22-2,23-3)12-10-28(7,11-13-30(24-4,25-5)26-6)9-8-14(16,27-20)15(17,18)19/h8-13H2,1-7H3
InChIKeyXELXDLZOCCCXTN-UHFFFAOYSA-N
XLogP4.34
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.67
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite (CID 123801798) is [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite is CO[Si](CC[Si](C)(CCC(F)(OF)C(F)(F)F)CC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite?
The InChIKey is XELXDLZOCCCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33F5O7Si3/c1-21-29(22-2,23-3)12-10-28(7,11-13-30(24-4,25-5)26-6)9-8-14(16,27-20)15(17,18)19/h8-13H2,1-7H3.
What are the key properties of [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite?
[1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite has a molecular weight of 504.67 g/mol, XLogP of 4.34, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2-tetrafluoro-4-[methyl-bis(2-trimethoxysilylethyl)silyl]butan-2-yl] hypofluorite is sourced from PubChem (CID 123801798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).