(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate

C14H21FO2Si — CID 10978481

IUPAC(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate
SMILESCc1cc(C)c(OC(=O)C(F)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C14H21FO2Si/c1-9-7-10(2)12(11(3)8-9)17-14(16)13(15)18(4,5)6/h7-8,13H,1-6H3
InChIKeyOFVUHULNKYJSSJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.73
Rot. Bonds3

About (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate

(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate (PubChem CID 10978481) has the molecular formula C14H21FO2Si and a molecular weight of 268.40 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate
PubChem CID10978481
Molecular FormulaC14H21FO2Si
Molecular Weight268.40 g/mol
Exact Mass268.13
IUPAC Name(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate
SMILESCc1cc(C)c(OC(=O)C(F)[Si](C)(C)C)c(C)c1
InChIInChI=1S/C14H21FO2Si/c1-9-7-10(2)12(11(3)8-9)17-14(16)13(15)18(4,5)6/h7-8,13H,1-6H3
InChIKeyOFVUHULNKYJSSJ-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trimethylphenyl) 2-aminopropanoate
CID 77308441
(2,4,6-trimethylphenyl) (2S)-2-aminopropanoate
CID 67529614
(2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748449
(2,4,6-trimethylphenyl) 2-amino-3-methylbutanoate
CID 82116665
(2,4,6-trimethylphenyl) 2-cyanopropanoate
CID 102373533
diethyl-[1-oxo-1-(2,4,6-trimethylphenoxy)propan-2-yl]azanium chloride
CID 16580
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
(2,4,6-trimethylphenyl) furan-3-carboxylate
CID 134061405
butane-2,3-diol;(2,4,6-trimethylphenyl) 2-oxo-2-(2,4,6-trimethylphenyl)acetate
CID 90416013
(2,4,6-trimethylphenyl) N,N-diethylcarbamate
CID 122209777
(2,4,6-trimethylphenyl) N-(3-aminopropyl)carbamate
CID 116819193
butane-1,2-diol;(2,4,6-trimethylphenyl) 2-oxo-2-(2,4,6-trimethylphenyl)acetate
CID 90415550

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate?
The IUPAC name of (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate (CID 10978481) is (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate.
What is the SMILES notation for (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate?
The canonical SMILES for (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate is Cc1cc(C)c(OC(=O)C(F)[Si](C)(C)C)c(C)c1.
What is the InChIKey of (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate?
The InChIKey is OFVUHULNKYJSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2Si/c1-9-7-10(2)12(11(3)8-9)17-14(16)13(15)18(4,5)6/h7-8,13H,1-6H3.
What are the key properties of (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate?
(2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate has a molecular weight of 268.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl) 2-fluoro-2-trimethylsilylacetate is sourced from PubChem (CID 10978481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).