(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol

C21H27F3O2Si2 — CID 16663926

IUPAC(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol
SMILESC[Si](C)(c1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H](O)[C@@H](O)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H27F3O2Si2/c1-27(2,15-8-6-5-7-9-15)19-17(25)18(26)20(19)28(3,4)16-12-10-14(11-13-16)21(22,23)24/h5-13,17-20,25-26H,1-4H3/t17-,18+,19+,20-/m1/s1
InChIKeyJFOZJJITLLTKCF-FUMNGEBKSA-N
MW424.61 g/mol
LogP3.71
Rot. Bonds4

About (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol

(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol (PubChem CID 16663926) has the molecular formula C21H27F3O2Si2 and a molecular weight of 424.61 g/mol. Its IUPAC name is (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol
PubChem CID16663926
Molecular FormulaC21H27F3O2Si2
Molecular Weight424.61 g/mol
Exact Mass424.15
IUPAC Name(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol
SMILESC[Si](C)(c1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H](O)[C@@H](O)[C@@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C21H27F3O2Si2/c1-27(2,15-8-6-5-7-9-15)19-17(25)18(26)20(19)28(3,4)16-12-10-14(11-13-16)21(22,23)24/h5-13,17-20,25-26H,1-4H3/t17-,18+,19+,20-/m1/s1
InChIKeyJFOZJJITLLTKCF-FUMNGEBKSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
ethane;bis(trifluoromethylbenzene)
CID 142912000
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
[(Z)-1-fluoro-2-phenylselanyl-2-[4-(trifluoromethyl)phenyl]selanylethenyl]-trimethylsilane
CID 134932274
dimethyl-phenyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 86031671
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
CID 101352816
CID 101352816

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol?
The IUPAC name of (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol (CID 16663926) is (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol?
The canonical SMILES for (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol is C[Si](C)(c1ccc(C(F)(F)F)cc1)[C@@H]1[C@@H](O)[C@@H](O)[C@@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol?
The InChIKey is JFOZJJITLLTKCF-FUMNGEBKSA-N. The full InChI is InChI=1S/C21H27F3O2Si2/c1-27(2,15-8-6-5-7-9-15)19-17(25)18(26)20(19)28(3,4)16-12-10-14(11-13-16)21(22,23)24/h5-13,17-20,25-26H,1-4H3/t17-,18+,19+,20-/m1/s1.
What are the key properties of (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol?
(1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol has a molecular weight of 424.61 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,4R)-3-[dimethyl(phenyl)silyl]-4-[dimethyl-[4-(trifluoromethyl)phenyl]silyl]cyclobutane-1,2-diol is sourced from PubChem (CID 16663926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).