2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C23H31F5N2O4SSi — CID 140929956

IUPAC2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(F)(F)c1cc(C2CC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCO2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C23H31F5N2O4SSi/c1-22(24,25)21-14-19(29-30(21)15-33-10-11-36(2,3)4)20-13-18(8-9-34-20)35(31,32)17-7-5-6-16(12-17)23(26,27)28/h5-7,12,14,18,20H,8-11,13,15H2,1-4H3
InChIKeyYJMZPDFAMYDNEZ-UHFFFAOYSA-N
MW554.65 g/mol
LogP6.02
Rot. Bonds9

About 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140929956) has the molecular formula C23H31F5N2O4SSi and a molecular weight of 554.65 g/mol. Its IUPAC name is 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140929956
Molecular FormulaC23H31F5N2O4SSi
Molecular Weight554.65 g/mol
Exact Mass554.17
IUPAC Name2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCC(F)(F)c1cc(C2CC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCO2)nn1COCC[Si](C)(C)C
InChIInChI=1S/C23H31F5N2O4SSi/c1-22(24,25)21-14-19(29-30(21)15-33-10-11-36(2,3)4)20-13-18(8-9-34-20)35(31,32)17-7-5-6-16(12-17)23(26,27)28/h5-7,12,14,18,20H,8-11,13,15H2,1-4H3
InChIKeyYJMZPDFAMYDNEZ-UHFFFAOYSA-N
XLogP6.02
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane 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

trimethyl-[2-[[5-[4-(3-methylphenyl)sulfonyloxan-2-yl]-3-(2,2,2-trifluoroethyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 157200443
3-bromo-1-methyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazole
CID 118434223
5-bromo-3-fluoro-2-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyridine
CID 118434388
2-[(5-fluoro-2-methylsulfonylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 118456610
1-(methylsulfanylmethyl)-3-[4-methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]-5-(trifluoromethyl)pyrazole
CID 126744295
1-(3-methoxycyclobutyl)sulfonyl-3-(trifluoromethyl)benzene
CID 67054918
N-ethyl-3-[3-(trifluoromethyl)phenyl]sulfonylcyclopentan-1-amine
CID 64722840
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
[3-[3-(trifluoromethyl)phenyl]sulfonylcyclobutyl]methanamine
CID 67054689
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140929956) is 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CC(F)(F)c1cc(C2CC(S(=O)(=O)c3cccc(C(F)(F)F)c3)CCO2)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YJMZPDFAMYDNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F5N2O4SSi/c1-22(24,25)21-14-19(29-30(21)15-33-10-11-36(2,3)4)20-13-18(8-9-34-20)35(31,32)17-7-5-6-16(12-17)23(26,27)28/h5-7,12,14,18,20H,8-11,13,15H2,1-4H3.
What are the key properties of 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 554.65 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,1-difluoroethyl)-3-[4-[3-(trifluoromethyl)phenyl]sulfonyloxan-2-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140929956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).