(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol

C22H29FO2Si — CID 67956886

IUPAC(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@@H](O)[C@@H](F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29FO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,17,20-21,24H,14-16H2,1-3H3/t17-,20+,21-/m1/s1
InChIKeyQHEMVGVETSMEDN-JRGCBEDISA-N
MW372.56 g/mol
LogP3.81
Rot. Bonds4

About (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol

(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol (PubChem CID 67956886) has the molecular formula C22H29FO2Si and a molecular weight of 372.56 g/mol. Its IUPAC name is (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol
PubChem CID67956886
Molecular FormulaC22H29FO2Si
Molecular Weight372.56 g/mol
Exact Mass372.19
IUPAC Name(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)[Si](O[C@@H]1CC[C@@H](O)[C@@H](F)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29FO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,17,20-21,24H,14-16H2,1-3H3/t17-,20+,21-/m1/s1
InChIKeyQHEMVGVETSMEDN-JRGCBEDISA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
1-[Tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-ol
CID 102342231
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-fluoropropane-1,3-diol
CID 138971112
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
(S)-4-(tert-butyldiphenylsilyloxy)-2-methylbutan-1-ol
CID 10712362
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-en-3-ol
CID 10915232
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
Silane, diphenyl(2-fluoroethoxy)hexyloxy-
CID 91717511

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol?
The IUPAC name of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol (CID 67956886) is (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol.
What is the SMILES notation for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol?
The canonical SMILES for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol is CC(C)(C)[Si](O[C@@H]1CC[C@@H](O)[C@@H](F)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol?
The InChIKey is QHEMVGVETSMEDN-JRGCBEDISA-N. The full InChI is InChI=1S/C22H29FO2Si/c1-22(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-17-14-15-21(24)20(23)16-17/h4-13,17,20-21,24H,14-16H2,1-3H3/t17-,20+,21-/m1/s1.
What are the key properties of (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol?
(1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol has a molecular weight of 372.56 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorocyclohexan-1-ol is sourced from PubChem (CID 67956886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).