5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid

C11H13F3O3Si — CID 167714402

IUPAC5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H13F3O3Si/c1-18(2,3)17-9-5-4-7(11(12,13)14)6-8(9)10(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyGDLXDXCLKIRTSB-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.62
Rot. Bonds3

About 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid

5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid (PubChem CID 167714402) has the molecular formula C11H13F3O3Si and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
PubChem CID167714402
Molecular FormulaC11H13F3O3Si
Molecular Weight278.30 g/mol
Exact Mass278.06
IUPAC Name5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C11H13F3O3Si/c1-18(2,3)17-9-5-4-7(11(12,13)14)6-8(9)10(15)16/h4-6H,1-3H3,(H,15,16)
InChIKeyGDLXDXCLKIRTSB-UHFFFAOYSA-N
XLogP3.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
CID 167719114
2-(3,3-dimethylbutoxy)-5-(trifluoromethyl)benzoic acid
CID 66225523
5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
CID 167737530
2-[2-(2-methoxyethoxy)ethoxy]-5-(trifluoromethyl)benzoic acid
CID 104560463
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
2-(2-cyclopropylethoxy)-5-(trifluoromethyl)benzoic acid
CID 114157343
2-(3-chlorophenoxy)-5-(trifluoromethyl)benzoic acid
CID 63512626
2-methylsulfonyl-5-(trifluoromethyl)benzoic acid
CID 26598188
5-chloro-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 66330074
5-amino-2-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 60987032

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid (CID 167714402) is 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid?
The InChIKey is GDLXDXCLKIRTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3Si/c1-18(2,3)17-9-5-4-7(11(12,13)14)6-8(9)10(15)16/h4-6H,1-3H3,(H,15,16).
What are the key properties of 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid?
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid has a molecular weight of 278.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167714402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).