2,4-difluoro-6-trimethylsilyloxybenzoic acid

C10H12F2O3Si — CID 167731600

IUPAC2,4-difluoro-6-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(F)cc(F)c1C(=O)O
InChIInChI=1S/C10H12F2O3Si/c1-16(2,3)15-8-5-6(11)4-7(12)9(8)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyPOJDDTMSHJYLBC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.88
Rot. Bonds3

About 2,4-difluoro-6-trimethylsilyloxybenzoic acid

2,4-difluoro-6-trimethylsilyloxybenzoic acid (PubChem CID 167731600) has the molecular formula C10H12F2O3Si and a molecular weight of 246.28 g/mol. Its IUPAC name is 2,4-difluoro-6-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-6-trimethylsilyloxybenzoic acid
PubChem CID167731600
Molecular FormulaC10H12F2O3Si
Molecular Weight246.28 g/mol
Exact Mass246.05
IUPAC Name2,4-difluoro-6-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(F)cc(F)c1C(=O)O
InChIInChI=1S/C10H12F2O3Si/c1-16(2,3)15-8-5-6(11)4-7(12)9(8)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyPOJDDTMSHJYLBC-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.88
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

4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
CID 167723816
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
2,4-difluoro-6-methylbenzoic acid
CID 119005612
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
2,4-difluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoic acid
CID 154645121
3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
CID 84783757
5-methylsulfanyl-2-trimethylsilyloxybenzoic acid
CID 167737530
2-acetyloxy-6-fluoro-4-methoxybenzoic acid
CID 18183431
5-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
2-amino-4-(2,4-difluoro-6-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406921
2-[(2,6-dimethylphenoxy)methyl]-4-methyl-6-trimethylsilyloxybenzene-1,3-dicarboxylic acid
CID 174607269

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-trimethylsilyloxybenzoic acid?
The IUPAC name of 2,4-difluoro-6-trimethylsilyloxybenzoic acid (CID 167731600) is 2,4-difluoro-6-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 2,4-difluoro-6-trimethylsilyloxybenzoic acid?
The canonical SMILES for 2,4-difluoro-6-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1cc(F)cc(F)c1C(=O)O.
What is the InChIKey of 2,4-difluoro-6-trimethylsilyloxybenzoic acid?
The InChIKey is POJDDTMSHJYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3Si/c1-16(2,3)15-8-5-6(11)4-7(12)9(8)10(13)14/h4-5H,1-3H3,(H,13,14).
What are the key properties of 2,4-difluoro-6-trimethylsilyloxybenzoic acid?
2,4-difluoro-6-trimethylsilyloxybenzoic acid has a molecular weight of 246.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167731600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).