4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde

C14H21FO2Si — CID 102361553

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(F)c1
InChIInChI=1S/C14H21FO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3
InChIKeyVIALYTXBVHNWIO-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.16
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde (PubChem CID 102361553) has the molecular formula C14H21FO2Si and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde
PubChem CID102361553
Molecular FormulaC14H21FO2Si
Molecular Weight268.40 g/mol
Exact Mass268.13
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(F)c1
InChIInChI=1S/C14H21FO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3
InChIKeyVIALYTXBVHNWIO-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
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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Related Compounds

4-(Methoxymethyl)benzaldehyde
CID 10171251
Trimethylsilyl benzoate
CID 74955
4-Formylbenzoate
CID 4289537
Trimethylsilyl 4-methylbenzoate
CID 12726301
Triethylsilyl Benzoate
CID 11287829
Methyl 3-fluoro-4-formylbenzoate
CID 18766342
Methyl 2-fluoro-4-formylbenzoate
CID 54758760
2,6-Difluoro-4-(methoxymethyl)benzaldehyde
CID 119086056
3-Tert-butyldimethylsilyloxy-2,5-difluorobenzaldehyde
CID 11346322
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde
CID 102361542
4-Methylbenzoic acid DMPFPS
CID 523433
tert-Butyldimethylsilyl 2-fluorobenzoate
CID 91732421

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde (CID 102361553) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde is CC(C)(C)[Si](C)(C)OCc1ccc(C=O)c(F)c1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde?
The InChIKey is VIALYTXBVHNWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2Si/c1-14(2,3)18(4,5)17-10-11-6-7-12(9-16)13(15)8-11/h6-9H,10H2,1-5H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde has a molecular weight of 268.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorobenzaldehyde is sourced from PubChem (CID 102361553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).