[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane

C20H28F6OSi — CID 134842444

IUPAC[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H28F6OSi/c1-18(2,3)28(4,5)27-17-9-7-6-8-16(17)13-10-14(19(21,22)23)12-15(11-13)20(24,25)26/h10-12,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyCPMNAKMXVQRLLM-DLBZAZTESA-N
MW426.52 g/mol
LogP7.77
Rot. Bonds3

About [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane

[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane (PubChem CID 134842444) has the molecular formula C20H28F6OSi and a molecular weight of 426.52 g/mol. Its IUPAC name is [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane
PubChem CID134842444
Molecular FormulaC20H28F6OSi
Molecular Weight426.52 g/mol
Exact Mass426.18
IUPAC Name[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H28F6OSi/c1-18(2,3)28(4,5)27-17-9-7-6-8-16(17)13-10-14(19(21,22)23)12-15(11-13)20(24,25)26/h10-12,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1
InChIKeyCPMNAKMXVQRLLM-DLBZAZTESA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane (CID 134842444) is [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane?
The InChIKey is CPMNAKMXVQRLLM-DLBZAZTESA-N. The full InChI is InChI=1S/C20H28F6OSi/c1-18(2,3)28(4,5)27-17-9-7-6-8-16(17)13-10-14(19(21,22)23)12-15(11-13)20(24,25)26/h10-12,16-17H,6-9H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane?
[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane has a molecular weight of 426.52 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134842444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).