trimethylstannyl 2,3,4,5-tetrafluorobenzoate

C10H10F4O2Sn — CID 71422031

IUPACtrimethylstannyl 2,3,4,5-tetrafluorobenzoate
SMILESC[Sn](C)(C)OC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O2.3CH3.Sn/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);3*1H3;/q;;;;+1/p-1
InChIKeyBVCFMUSCEFOJNP-UHFFFAOYSA-M
MW356.89 g/mol
LogP3.23
Rot. Bonds2

About trimethylstannyl 2,3,4,5-tetrafluorobenzoate

trimethylstannyl 2,3,4,5-tetrafluorobenzoate (PubChem CID 71422031) has the molecular formula C10H10F4O2Sn and a molecular weight of 356.89 g/mol. Its IUPAC name is trimethylstannyl 2,3,4,5-tetrafluorobenzoate.

Molecular Properties

Compound Nametrimethylstannyl 2,3,4,5-tetrafluorobenzoate
PubChem CID71422031
Molecular FormulaC10H10F4O2Sn
Molecular Weight356.89 g/mol
Exact Mass357.96
IUPAC Nametrimethylstannyl 2,3,4,5-tetrafluorobenzoate
SMILESC[Sn](C)(C)OC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O2.3CH3.Sn/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);3*1H3;/q;;;;+1/p-1
InChIKeyBVCFMUSCEFOJNP-UHFFFAOYSA-M
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

propyl 2,3,4,5-tetrafluorobenzoate
CID 78968858
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
sodium 2,3,4,5-tetrafluorobenzoate
CID 23675288
2,2-difluoro-1-(2,3,4,5-tetrafluorophenyl)ethanone
CID 130920299
triphenylstannyl 2,4,5-trifluoro-3-methoxybenzoate
CID 71425248
methyl 4-(tert-butylamino)-2,3,5-trifluorobenzoate;methyl 2,3,4,5-tetrafluorobenzoate
CID 167700409
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
(Z)-3-methoxy-3-oxo-1-(2,3,4,5-tetrafluorophenyl)prop-1-en-1-olate
CID 164845157
N,2,3,4,5-pentafluoro-N-(3-trimethoxysilylpropyl)benzamide
CID 90170601
[2-methyl-4-(4-methylphenyl)phenyl] 2,3,4,5-tetrafluorobenzoate
CID 2470959
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826

Frequently Asked Questions

What is the IUPAC name of trimethylstannyl 2,3,4,5-tetrafluorobenzoate?
The IUPAC name of trimethylstannyl 2,3,4,5-tetrafluorobenzoate (CID 71422031) is trimethylstannyl 2,3,4,5-tetrafluorobenzoate.
What is the SMILES notation for trimethylstannyl 2,3,4,5-tetrafluorobenzoate?
The canonical SMILES for trimethylstannyl 2,3,4,5-tetrafluorobenzoate is C[Sn](C)(C)OC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of trimethylstannyl 2,3,4,5-tetrafluorobenzoate?
The InChIKey is BVCFMUSCEFOJNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H2F4O2.3CH3.Sn/c8-3-1-2(7(12)13)4(9)6(11)5(3)10;;;;/h1H,(H,12,13);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylstannyl 2,3,4,5-tetrafluorobenzoate?
trimethylstannyl 2,3,4,5-tetrafluorobenzoate has a molecular weight of 356.89 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylstannyl 2,3,4,5-tetrafluorobenzoate is sourced from PubChem (CID 71422031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).