[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol

C21H26F2O2Si — CID 58682742

IUPAC[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1[C@H](CO)C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O2Si/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyCMQPTIALJGHENU-OALUTQOASA-N
MW376.52 g/mol
LogP3.44
Rot. Bonds6

About [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol

[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol (PubChem CID 58682742) has the molecular formula C21H26F2O2Si and a molecular weight of 376.52 g/mol. Its IUPAC name is [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
PubChem CID58682742
Molecular FormulaC21H26F2O2Si
Molecular Weight376.52 g/mol
Exact Mass376.17
IUPAC Name[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol
SMILESCC(C)(C)[Si](OC[C@H]1[C@H](CO)C1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26F2O2Si/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m0/s1
InChIKeyCMQPTIALJGHENU-OALUTQOASA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.44
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-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-bis(methylsulfanyl)cyclobutyl]methoxy]-diphenylsilane;[(1S,2S)-2-(hydroxymethyl)-3,3-bis(methylsulfanyl)cyclobutyl]methanol
CID 160586441
[(4R,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]methanol
CID 102393035
[(2S,3S,5R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
CID 91510832
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,4-difluorothiolan-3-ol
CID 10692836
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
CID 90339250
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol (CID 58682742) is [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol is CC(C)(C)[Si](OC[C@H]1[C@H](CO)C1(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
The InChIKey is CMQPTIALJGHENU-OALUTQOASA-N. The full InChI is InChI=1S/C21H26F2O2Si/c1-20(2,3)26(16-10-6-4-7-11-16,17-12-8-5-9-13-17)25-15-19-18(14-24)21(19,22)23/h4-13,18-19,24H,14-15H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol?
[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol has a molecular weight of 376.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 58682742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).