5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid

C17H17F3O3Si — CID 167719114

IUPAC5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)O
InChIInChI=1S/C17H17F3O3Si/c1-24(2,3)23-15-8-7-12(10-14(15)16(21)22)11-5-4-6-13(9-11)17(18,19)20/h4-10H,1-3H3,(H,21,22)
InChIKeyZLULQBNQUDMACT-UHFFFAOYSA-N
MW354.40 g/mol
LogP5.28
Rot. Bonds4

About 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid

5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid (PubChem CID 167719114) has the molecular formula C17H17F3O3Si and a molecular weight of 354.40 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
PubChem CID167719114
Molecular FormulaC17H17F3O3Si
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid
SMILESC[Si](C)(C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)O
InChIInChI=1S/C17H17F3O3Si/c1-24(2,3)23-15-8-7-12(10-14(15)16(21)22)11-5-4-6-13(9-11)17(18,19)20/h4-10H,1-3H3,(H,21,22)
InChIKeyZLULQBNQUDMACT-UHFFFAOYSA-N
XLogP5.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.40
LogP ≤ 55.28
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-(trifluoromethyl)-2-trimethylsilyloxybenzoic acid
CID 167714402
2-methoxy-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227617
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
2-methyl-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 53227606
1-propan-2-yl-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 61264904
2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 172876886
4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
2-[[4-[3-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzoic acid
CID 71086455
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid (CID 167719114) is 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid is C[Si](C)(C)Oc1ccc(-c2cccc(C(F)(F)F)c2)cc1C(=O)O.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid?
The InChIKey is ZLULQBNQUDMACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O3Si/c1-24(2,3)23-15-8-7-12(10-14(15)16(21)22)11-5-4-6-13(9-11)17(18,19)20/h4-10H,1-3H3,(H,21,22).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid?
5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid has a molecular weight of 354.40 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-2-trimethylsilyloxybenzoic acid is sourced from PubChem (CID 167719114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).