[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate

C8H5F5O5Si — CID 90170337

IUPAC[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate
SMILESO=C(OC(F)(F)[Si](O)(O)O)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F5O5Si/c9-4-2-1-3(5(10)6(4)11)7(14)18-8(12,13)19(15,16)17/h1-2,15-17H
InChIKeyDYWQGTKQTVVZGJ-UHFFFAOYSA-N
MW304.20 g/mol
LogP0.31
Rot. Bonds3

About [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate

[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate (PubChem CID 90170337) has the molecular formula C8H5F5O5Si and a molecular weight of 304.20 g/mol. Its IUPAC name is [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate.

Molecular Properties

Compound Name[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate
PubChem CID90170337
Molecular FormulaC8H5F5O5Si
Molecular Weight304.20 g/mol
Exact Mass303.98
IUPAC Name[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate
SMILESO=C(OC(F)(F)[Si](O)(O)O)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H5F5O5Si/c9-4-2-1-3(5(10)6(4)11)7(14)18-8(12,13)19(15,16)17/h1-2,15-17H
InChIKeyDYWQGTKQTVVZGJ-UHFFFAOYSA-N
XLogP0.31
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
2-amino-3,3,3-trifluoro-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-one
CID 116593081
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
N,2,3,4-tetrafluorobenzamide
CID 91055455
5,5,5-trifluoro-1-(2,3,4-trifluorophenyl)pentan-1-one
CID 115792229
1-(2,3,4-trifluorophenyl)prop-2-yn-1-one
CID 114978534
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
2,3-difluoro-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
CID 53425745
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanone
CID 114971637

Frequently Asked Questions

What is the IUPAC name of [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate?
The IUPAC name of [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate (CID 90170337) is [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate.
What is the SMILES notation for [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate?
The canonical SMILES for [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate is O=C(OC(F)(F)[Si](O)(O)O)c1ccc(F)c(F)c1F.
What is the InChIKey of [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate?
The InChIKey is DYWQGTKQTVVZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O5Si/c9-4-2-1-3(5(10)6(4)11)7(14)18-8(12,13)19(15,16)17/h1-2,15-17H.
What are the key properties of [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate?
[difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate has a molecular weight of 304.20 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(trihydroxysilyl)methyl] 2,3,4-trifluorobenzoate is sourced from PubChem (CID 90170337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).