trifluorosilylmethyl 2-chlorobenzoate

C8H6ClF3O2Si — CID 12603930

IUPACtrifluorosilylmethyl 2-chlorobenzoate
SMILESO=C(OC[Si](F)(F)F)c1ccccc1Cl
InChIInChI=1S/C8H6ClF3O2Si/c9-7-4-2-1-3-6(7)8(13)14-5-15(10,11)12/h1-4H,5H2
InChIKeyJYBZFEUCKPOQCE-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.88
Rot. Bonds3

About trifluorosilylmethyl 2-chlorobenzoate

trifluorosilylmethyl 2-chlorobenzoate (PubChem CID 12603930) has the molecular formula C8H6ClF3O2Si and a molecular weight of 254.67 g/mol. Its IUPAC name is trifluorosilylmethyl 2-chlorobenzoate.

Molecular Properties

Compound Nametrifluorosilylmethyl 2-chlorobenzoate
PubChem CID12603930
Molecular FormulaC8H6ClF3O2Si
Molecular Weight254.67 g/mol
Exact Mass253.98
IUPAC Nametrifluorosilylmethyl 2-chlorobenzoate
SMILESO=C(OC[Si](F)(F)F)c1ccccc1Cl
InChIInChI=1S/C8H6ClF3O2Si/c9-7-4-2-1-3-6(7)8(13)14-5-15(10,11)12/h1-4H,5H2
InChIKeyJYBZFEUCKPOQCE-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
3-iodoprop-2-ynyl 2-chlorobenzoate
CID 54287715
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
2-piperidin-1-ylethyl 2-chlorobenzoate;hydrochloride
CID 6602660
4-oxopentyl 2-chlorobenzoate
CID 78846434
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
ethyl 2-[2-(2-chlorophenyl)-2-oxoacetyl]benzoate
CID 102105830
[3-(2-chloro-3-pyridinyl)-3-oxopropyl] 2-chlorobenzoate
CID 174992100
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorobenzoate
CID 1474461

Frequently Asked Questions

What is the IUPAC name of trifluorosilylmethyl 2-chlorobenzoate?
The IUPAC name of trifluorosilylmethyl 2-chlorobenzoate (CID 12603930) is trifluorosilylmethyl 2-chlorobenzoate.
What is the SMILES notation for trifluorosilylmethyl 2-chlorobenzoate?
The canonical SMILES for trifluorosilylmethyl 2-chlorobenzoate is O=C(OC[Si](F)(F)F)c1ccccc1Cl.
What is the InChIKey of trifluorosilylmethyl 2-chlorobenzoate?
The InChIKey is JYBZFEUCKPOQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2Si/c9-7-4-2-1-3-6(7)8(13)14-5-15(10,11)12/h1-4H,5H2.
What are the key properties of trifluorosilylmethyl 2-chlorobenzoate?
trifluorosilylmethyl 2-chlorobenzoate has a molecular weight of 254.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluorosilylmethyl 2-chlorobenzoate is sourced from PubChem (CID 12603930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).