2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid

C17H25F3O4Si — CID 142396089

IUPAC2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
SMILESCC(C)[Si](Oc1ccc(C(=O)O)c(OC(F)(F)F)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H25F3O4Si/c1-10(2)25(11(3)4,12(5)6)24-13-7-8-14(16(21)22)15(9-13)23-17(18,19)20/h7-12H,1-6H3,(H,21,22)
InChIKeyYVDUOFZAKNYYRY-UHFFFAOYSA-N
MW378.46 g/mol
LogP5.84
Rot. Bonds7

About 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid

2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid (PubChem CID 142396089) has the molecular formula C17H25F3O4Si and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid.

Molecular Properties

Compound Name2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
PubChem CID142396089
Molecular FormulaC17H25F3O4Si
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
SMILESCC(C)[Si](Oc1ccc(C(=O)O)c(OC(F)(F)F)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H25F3O4Si/c1-10(2)25(11(3)4,12(5)6)24-13-7-8-14(16(21)22)15(9-13)23-17(18,19)20/h7-12H,1-6H3,(H,21,22)
InChIKeyYVDUOFZAKNYYRY-UHFFFAOYSA-N
XLogP5.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
CID 90905151
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
2-propoxy-4-(trifluoromethoxy)benzoic acid
CID 170681921
2,4-bis(1,1,2,3,3,3-hexafluoropropoxy)benzoic acid
CID 162396628
2-propan-2-yloxy-4-(trifluoromethylsulfonyloxy)benzoic acid
CID 23090775
2-cyclopropyloxy-4-(trifluoromethoxy)benzoic acid
CID 53465377
2-dodecanoyloxy-4-(trifluoromethoxy)benzoic acid
CID 170681905
2-[4-(4-chlorophenoxy)-2-(trifluoromethoxy)phenyl]-2-oxoacetic acid
CID 151751548
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
[4-methoxy-2-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 118801497
4-(3-amino-3-oxoprop-1-enyl)-2-(trifluoromethoxy)benzoic acid
CID 169482651

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid?
The IUPAC name of 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid (CID 142396089) is 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid.
What is the SMILES notation for 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid?
The canonical SMILES for 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid is CC(C)[Si](Oc1ccc(C(=O)O)c(OC(F)(F)F)c1)(C(C)C)C(C)C.
What is the InChIKey of 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid?
The InChIKey is YVDUOFZAKNYYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3O4Si/c1-10(2)25(11(3)4,12(5)6)24-13-7-8-14(16(21)22)15(9-13)23-17(18,19)20/h7-12H,1-6H3,(H,21,22).
What are the key properties of 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid?
2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid has a molecular weight of 378.46 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid is sourced from PubChem (CID 142396089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).