2,4-difluoro-3-trimethylsilylbenzoic acid

C10H12F2O2Si — CID 11579522

IUPAC2,4-difluoro-3-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1c(F)ccc(C(=O)O)c1F
InChIInChI=1S/C10H12F2O2Si/c1-15(2,3)9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyHWVCKUOSSNEHFU-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.21
Rot. Bonds2

About 2,4-difluoro-3-trimethylsilylbenzoic acid

2,4-difluoro-3-trimethylsilylbenzoic acid (PubChem CID 11579522) has the molecular formula C10H12F2O2Si and a molecular weight of 230.29 g/mol. Its IUPAC name is 2,4-difluoro-3-trimethylsilylbenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-3-trimethylsilylbenzoic acid
PubChem CID11579522
Molecular FormulaC10H12F2O2Si
Molecular Weight230.29 g/mol
Exact Mass230.06
IUPAC Name2,4-difluoro-3-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1c(F)ccc(C(=O)O)c1F
InChIInChI=1S/C10H12F2O2Si/c1-15(2,3)9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyHWVCKUOSSNEHFU-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
CID 178095906
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938
2-bromo-3,4-difluorobenzoic acid
CID 22621204
2-fluoro-3,4-dimethylbenzoic acid
CID 58240541
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065
N-(3,4-difluoro-2-trimethylsilylphenyl)acetamide
CID 101479656
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
benzamide;2,3,4-trifluorobenzoic acid
CID 158159463
4-fluoro-3-trimethylsilylbenzoic acid
CID 11736002
2-[tert-butyl(dimethyl)silyl]oxy-4-fluoro-3-methylbenzoic acid
CID 167742201
3-acetyl-2-fluorobenzoic acid
CID 83410719

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-trimethylsilylbenzoic acid?
The IUPAC name of 2,4-difluoro-3-trimethylsilylbenzoic acid (CID 11579522) is 2,4-difluoro-3-trimethylsilylbenzoic acid.
What is the SMILES notation for 2,4-difluoro-3-trimethylsilylbenzoic acid?
The canonical SMILES for 2,4-difluoro-3-trimethylsilylbenzoic acid is C[Si](C)(C)c1c(F)ccc(C(=O)O)c1F.
What is the InChIKey of 2,4-difluoro-3-trimethylsilylbenzoic acid?
The InChIKey is HWVCKUOSSNEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2Si/c1-15(2,3)9-7(11)5-4-6(8(9)12)10(13)14/h4-5H,1-3H3,(H,13,14).
What are the key properties of 2,4-difluoro-3-trimethylsilylbenzoic acid?
2,4-difluoro-3-trimethylsilylbenzoic acid has a molecular weight of 230.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-trimethylsilylbenzoic acid is sourced from PubChem (CID 11579522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).