2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde

C16H24F2O2Si — CID 59336031

IUPAC2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCC(C)[Si](Oc1ccc(C=O)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C16H24F2O2Si/c1-10(2)21(11(3)4,12(5)6)20-14-8-7-13(9-19)15(17)16(14)18/h7-12H,1-6H3
InChIKeyDVAVOKYCCDJITO-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.33
Rot. Bonds6

About 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde

2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde (PubChem CID 59336031) has the molecular formula C16H24F2O2Si and a molecular weight of 314.45 g/mol. Its IUPAC name is 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde.

Molecular Properties

Compound Name2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
PubChem CID59336031
Molecular FormulaC16H24F2O2Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
SMILESCC(C)[Si](Oc1ccc(C=O)c(F)c1F)(C(C)C)C(C)C
InChIInChI=1S/C16H24F2O2Si/c1-10(2)21(11(3)4,12(5)6)20-14-8-7-13(9-19)15(17)16(14)18/h7-12H,1-6H3
InChIKeyDVAVOKYCCDJITO-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.33
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 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde?
The IUPAC name of 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde (CID 59336031) is 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde.
What is the SMILES notation for 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde?
The canonical SMILES for 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde is CC(C)[Si](Oc1ccc(C=O)c(F)c1F)(C(C)C)C(C)C.
What is the InChIKey of 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde?
The InChIKey is DVAVOKYCCDJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O2Si/c1-10(2)21(11(3)4,12(5)6)20-14-8-7-13(9-19)15(17)16(14)18/h7-12H,1-6H3.
What are the key properties of 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde?
2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde has a molecular weight of 314.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde is sourced from PubChem (CID 59336031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).