4-fluoro-3-trimethylsilylbenzoic acid

C10H13FO2Si — CID 11736002

IUPAC4-fluoro-3-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H13FO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6H,1-3H3,(H,12,13)
InChIKeyDKZAJDWWVIWWCX-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.07
Rot. Bonds2

About 4-fluoro-3-trimethylsilylbenzoic acid

4-fluoro-3-trimethylsilylbenzoic acid (PubChem CID 11736002) has the molecular formula C10H13FO2Si and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-fluoro-3-trimethylsilylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-trimethylsilylbenzoic acid
PubChem CID11736002
Molecular FormulaC10H13FO2Si
Molecular Weight212.30 g/mol
Exact Mass212.07
IUPAC Name4-fluoro-3-trimethylsilylbenzoic acid
SMILESC[Si](C)(C)c1cc(C(=O)O)ccc1F
InChIInChI=1S/C10H13FO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6H,1-3H3,(H,12,13)
InChIKeyDKZAJDWWVIWWCX-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-3-trimethylsilylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-methylsulfinylbenzoic acid
CID 58022679
4-fluoro-3-propylbenzoic acid
CID 11745258
4-fluoro-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 131617153
3-(dimethylaminosulfamoyl)-4-fluorobenzoic acid
CID 83005612
4-chlorobenzoic acid;fluoromethane
CID 174932068
4-(ethylamino)-3-fluorobenzoic acid
CID 62711804
4-fluoro-3-(2-methylpropyl)benzoic acid
CID 107957211
3-(3,5-dioxo-1,2,4-triazolidin-4-yl)-4-fluorobenzoic acid
CID 107409437
4-chloro-3-fluorobenzoic acid
CID 2736536
4-fluoro-3-isocyanobenzoic acid
CID 59847705
4-fluoro-3-(methanesulfonamido)benzoic acid
CID 47002814
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-trimethylsilylbenzoic acid?
The IUPAC name of 4-fluoro-3-trimethylsilylbenzoic acid (CID 11736002) is 4-fluoro-3-trimethylsilylbenzoic acid.
What is the SMILES notation for 4-fluoro-3-trimethylsilylbenzoic acid?
The canonical SMILES for 4-fluoro-3-trimethylsilylbenzoic acid is C[Si](C)(C)c1cc(C(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-trimethylsilylbenzoic acid?
The InChIKey is DKZAJDWWVIWWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2Si/c1-14(2,3)9-6-7(10(12)13)4-5-8(9)11/h4-6H,1-3H3,(H,12,13).
What are the key properties of 4-fluoro-3-trimethylsilylbenzoic acid?
4-fluoro-3-trimethylsilylbenzoic acid has a molecular weight of 212.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-trimethylsilylbenzoic acid is sourced from PubChem (CID 11736002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).