3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde

C13H18F2O2Si — CID 11346322

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F
InChIInChI=1S/C13H18F2O2Si/c1-13(2,3)18(4,5)17-11-7-10(14)6-9(8-16)12(11)15/h6-8H,1-5H3
InChIKeyKPPATEAUQLUXHN-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.16
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde

3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde (PubChem CID 11346322) has the molecular formula C13H18F2O2Si and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde
PubChem CID11346322
Molecular FormulaC13H18F2O2Si
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F
InChIInChI=1S/C13H18F2O2Si/c1-13(2,3)18(4,5)17-11-7-10(14)6-9(8-16)12(11)15/h6-8H,1-5H3
InChIKeyKPPATEAUQLUXHN-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde (CID 11346322) is 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde is CC(C)(C)[Si](C)(C)Oc1cc(F)cc(C=O)c1F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde?
The InChIKey is KPPATEAUQLUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2Si/c1-13(2,3)18(4,5)17-11-7-10(14)6-9(8-16)12(11)15/h6-8H,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde?
3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde has a molecular weight of 272.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,5-difluorobenzaldehyde is sourced from PubChem (CID 11346322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).