4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid

C10H12ClFO3Si — CID 167723816

IUPAC4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(Cl)cc(F)c1C(=O)O
InChIInChI=1S/C10H12ClFO3Si/c1-16(2,3)15-8-5-6(11)4-7(12)9(8)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyPOEQTLPZZNRAPE-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid

4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid (PubChem CID 167723816) has the molecular formula C10H12ClFO3Si and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
PubChem CID167723816
Molecular FormulaC10H12ClFO3Si
Molecular Weight262.74 g/mol
Exact Mass262.02
IUPAC Name4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1cc(Cl)cc(F)c1C(=O)O
InChIInChI=1S/C10H12ClFO3Si/c1-16(2,3)15-8-5-6(11)4-7(12)9(8)10(13)14/h4-5H,1-3H3,(H,13,14)
InChIKeyPOEQTLPZZNRAPE-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.39
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

2,4-difluoro-6-trimethylsilyloxybenzoic acid
CID 167731600
4-chloro-2-fluoro-6-methoxybenzoic acid
CID 53399475
5-bromo-4-fluoro-2-trimethylsilyloxybenzoic acid
CID 167733328
4-chloro-2,6-difluorobenzamide
CID 22478130
(2-bromo-4-chloro-6-fluorophenoxy)-trimethylsilane
CID 167737943
4-chloro-5-fluorosulfonyl-2-trimethylsilyloxybenzoic acid
CID 167730264
2-[(2,6-dimethylphenoxy)methyl]-4-methyl-6-trimethylsilyloxybenzene-1,3-dicarboxylic acid
CID 174607269
4-(chloromethyl)-2-(difluoromethoxy)-6-fluorobenzoic acid
CID 171021802
4-(4-chlorophenyl)-2-fluoro-6-methylbenzoic acid
CID 162534074
2-chloro-3-fluoro-6-hydroxy-5-methoxybenzoic acid
CID 117314957
5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
CID 171522333
2,4-dichloro-3,6-difluorobenzoic acid
CID 142663367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid?
The IUPAC name of 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid (CID 167723816) is 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid?
The canonical SMILES for 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1cc(Cl)cc(F)c1C(=O)O.
What is the InChIKey of 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid?
The InChIKey is POEQTLPZZNRAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO3Si/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 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid?
4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid has a molecular weight of 262.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-6-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167723816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).