butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C12H15F5OSi — CID 523426

IUPACbutan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5OSi/c1-5-6(2)18-19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h6H,5H2,1-4H3
InChIKeyCIZYHNJYZDXRSO-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.61
Rot. Bonds4

About butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 523426) has the molecular formula C12H15F5OSi and a molecular weight of 298.33 g/mol. Its IUPAC name is butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namebutan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID523426
Molecular FormulaC12H15F5OSi
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Namebutan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H15F5OSi/c1-5-6(2)18-19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h6H,5H2,1-4H3
InChIKeyCIZYHNJYZDXRSO-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 523426) is butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is CCC(C)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is CIZYHNJYZDXRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5OSi/c1-5-6(2)18-19(3,4)12-10(16)8(14)7(13)9(15)11(12)17/h6H,5H2,1-4H3.
What are the key properties of butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 298.33 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 523426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).