2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde

C11H14F2O2Si — CID 14114204

IUPAC2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
SMILESCOc1cc(C=O)c(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C11H14F2O2Si/c1-15-8-5-7(6-14)9(12)11(10(8)13)16(2,3)4/h5-6H,1-4H3
InChIKeyILMSAIKEEJDSRZ-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.33
Rot. Bonds3

About 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde

2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde (PubChem CID 14114204) has the molecular formula C11H14F2O2Si and a molecular weight of 244.31 g/mol. Its IUPAC name is 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
PubChem CID14114204
Molecular FormulaC11H14F2O2Si
Molecular Weight244.31 g/mol
Exact Mass244.07
IUPAC Name2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde
SMILESCOc1cc(C=O)c(F)c([Si](C)(C)C)c1F
InChIInChI=1S/C11H14F2O2Si/c1-15-8-5-7(6-14)9(12)11(10(8)13)16(2,3)4/h5-6H,1-4H3
InChIKeyILMSAIKEEJDSRZ-UHFFFAOYSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.33
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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Related Compounds

3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-amino-4-bromo-3-fluoro-5-methoxybenzaldehyde
CID 164904191
4-fluoro-2-iodo-5-methoxybenzaldehyde
CID 171016936
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
(4-bromo-2-fluoro-6-methoxy-3-trimethylsilylphenyl)-trimethylsilane
CID 86058304
4-fluoro-2-methoxybenzaldehyde
CID 2774537
(2,3-difluoro-4-iodo-6-methoxyphenyl)-trimethylsilane
CID 164891648
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde?
The IUPAC name of 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde (CID 14114204) is 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde.
What is the SMILES notation for 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde?
The canonical SMILES for 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde is COc1cc(C=O)c(F)c([Si](C)(C)C)c1F.
What is the InChIKey of 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde?
The InChIKey is ILMSAIKEEJDSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2Si/c1-15-8-5-7(6-14)9(12)11(10(8)13)16(2,3)4/h5-6H,1-4H3.
What are the key properties of 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde?
2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde has a molecular weight of 244.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methoxy-3-trimethylsilylbenzaldehyde is sourced from PubChem (CID 14114204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).