[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite

C12H19F5O3Si — CID 162424553

IUPAC[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite
SMILESC#CC(C)(O)CCO[Si](C)(C)CCC(F)(OF)C(F)(F)F
InChIInChI=1S/C12H19F5O3Si/c1-5-10(2,18)6-8-19-21(3,4)9-7-11(13,20-17)12(14,15)16/h1,18H,6-9H2,2-4H3
InChIKeyPRXCYESPJJNBLR-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.50
Rot. Bonds8

About [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite

[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite (PubChem CID 162424553) has the molecular formula C12H19F5O3Si and a molecular weight of 334.36 g/mol. Its IUPAC name is [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite
PubChem CID162424553
Molecular FormulaC12H19F5O3Si
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite
SMILESC#CC(C)(O)CCO[Si](C)(C)CCC(F)(OF)C(F)(F)F
InChIInChI=1S/C12H19F5O3Si/c1-5-10(2,18)6-8-19-21(3,4)9-7-11(13,20-17)12(14,15)16/h1,18H,6-9H2,2-4H3
InChIKeyPRXCYESPJJNBLR-UHFFFAOYSA-N
XLogP3.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite (CID 162424553) is [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite is C#CC(C)(O)CCO[Si](C)(C)CCC(F)(OF)C(F)(F)F.
What is the InChIKey of [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite?
The InChIKey is PRXCYESPJJNBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F5O3Si/c1-5-10(2,18)6-8-19-21(3,4)9-7-11(13,20-17)12(14,15)16/h1,18H,6-9H2,2-4H3.
What are the key properties of [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite?
[1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite has a molecular weight of 334.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,2-tetrafluoro-4-[(3-hydroxy-3-methylpent-4-ynoxy)-dimethylsilyl]butan-2-yl] hypofluorite is sourced from PubChem (CID 162424553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).