tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane

C19H28ClF3OSi — CID 162537730

IUPACtert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H28ClF3OSi/c1-18(2,3)25(4,5)24-17-9-7-6-8-14(17)13-10-11-16(20)15(12-13)19(21,22)23/h10-12,14,17H,6-9H2,1-5H3/t14-,17+/m0/s1
InChIKeyCGRXZKMSUHTTCZ-WMLDXEAASA-N
MW392.97 g/mol
LogP7.41
Rot. Bonds3

About tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane (PubChem CID 162537730) has the molecular formula C19H28ClF3OSi and a molecular weight of 392.97 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane
PubChem CID162537730
Molecular FormulaC19H28ClF3OSi
Molecular Weight392.97 g/mol
Exact Mass392.16
IUPAC Nametert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H28ClF3OSi/c1-18(2,3)25(4,5)24-17-9-7-6-8-14(17)13-10-11-16(20)15(12-13)19(21,22)23/h10-12,14,17H,6-9H2,1-5H3/t14-,17+/m0/s1
InChIKeyCGRXZKMSUHTTCZ-WMLDXEAASA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.97
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-Chlorophenyl)-5,5-difluoro-1-cyclopentenyloxy]tert-butyldimethylsilane
CID 102492771
tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclopentyl]oxy-dimethylsilane
CID 132967121
[(1R,2S)-2-[3,5-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-tert-butyl-dimethylsilane
CID 134842444
2-[4-Chloro-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 21082583
Tert-butyl-[3-[4-chloro-3-(trifluoromethyl)phenyl]but-3-enoxy]-diphenylsilane
CID 59256022
tert-butyl-[(3S)-3-(4-chloro-3-fluorophenyl)butoxy]-dimethylsilane
CID 89817379
(E)-tert-Butyl((1-(4-chloro-3-(trifluoromethyl)phenyl)prop-1-en-1-yl)oxy)dimethylsilane
CID 142524546
tert-butyl-[(2R)-2-(4-chloro-3-fluorophenyl)propoxy]-dimethylsilane
CID 147593706
Tert-butyl-[1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane
CID 150463115
[1-(4-Chlorophenyl)-2,2-difluorobut-3-enoxy]-triethylsilane
CID 166519406
tert-butyl-[(Z)-1-[4-chloro-3-(trifluoromethyl)phenyl]prop-1-enoxy]-dimethylsilane
CID 173787577
5-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyloxane
CID 174639619

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane (CID 162537730) is tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane?
The InChIKey is CGRXZKMSUHTTCZ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H28ClF3OSi/c1-18(2,3)25(4,5)24-17-9-7-6-8-14(17)13-10-11-16(20)15(12-13)19(21,22)23/h10-12,14,17H,6-9H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane has a molecular weight of 392.97 g/mol, XLogP of 7.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-[4-chloro-3-(trifluoromethyl)phenyl]cyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 162537730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).