5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid

C11H13FO4Si — CID 178095906

IUPAC5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
SMILESC[Si](C)(C)c1c(C(=O)O)cc(F)cc1C(=O)O
InChIInChI=1S/C11H13FO4Si/c1-17(2,3)9-7(10(13)14)4-6(12)5-8(9)11(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyLDAVCGDIUVKYME-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.77
Rot. Bonds3

About 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid

5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid (PubChem CID 178095906) has the molecular formula C11H13FO4Si and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
PubChem CID178095906
Molecular FormulaC11H13FO4Si
Molecular Weight256.31 g/mol
Exact Mass256.06
IUPAC Name5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid
SMILESC[Si](C)(C)c1c(C(=O)O)cc(F)cc1C(=O)O
InChIInChI=1S/C11H13FO4Si/c1-17(2,3)9-7(10(13)14)4-6(12)5-8(9)11(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16)
InChIKeyLDAVCGDIUVKYME-UHFFFAOYSA-N
XLogP1.77
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-3-trimethylsilylbenzoic acid
CID 11579522
2-chloro-5-fluoro-3-methylbenzoic acid
CID 53430534
5-fluoro-2-methyl-3-methylsulfanylbenzoic acid
CID 164895491
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
acetic acid;1,3,5-trifluorobenzene
CID 162178148
2-chloro-5-fluoro-3-hydroxybenzoic acid
CID 131954804
2-acetyl-5-fluorobenzoic acid
CID 117279010
5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
CID 100582842
5-fluoro-1H-indazole-7-carboxylic acid
CID 76846417
3-[(1R)-1-aminopropyl]-5-fluoro-2-hydroxybenzoic acid
CID 171258454
6-fluoro-2,2-dimethyl-3H-1-benzofuran-4-carboxylic acid
CID 123948418
6-fluoro-1,3-benzothiazole-4-carboxylic acid
CID 67467360

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid (CID 178095906) is 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid is C[Si](C)(C)c1c(C(=O)O)cc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid?
The InChIKey is LDAVCGDIUVKYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4Si/c1-17(2,3)9-7(10(13)14)4-6(12)5-8(9)11(15)16/h4-5H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid?
5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-trimethylsilylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 178095906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).