tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane

C21H27F2NOSi — CID 170771909

IUPACtert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC(F)(F)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F2NOSi/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-21(22,23)16-24-17/h4-13,17,24H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyNWVLXZFTZNYSRT-KRWDZBQOSA-N
MW375.53 g/mol
LogP3.56
Rot. Bonds5

About tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane (PubChem CID 170771909) has the molecular formula C21H27F2NOSi and a molecular weight of 375.53 g/mol. Its IUPAC name is tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
PubChem CID170771909
Molecular FormulaC21H27F2NOSi
Molecular Weight375.53 g/mol
Exact Mass375.18
IUPAC Nametert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CC(F)(F)CN1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27F2NOSi/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-21(22,23)16-24-17/h4-13,17,24H,14-16H2,1-3H3/t17-/m0/s1
InChIKeyNWVLXZFTZNYSRT-KRWDZBQOSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane (CID 170771909) is tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CC(F)(F)CN1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane?
The InChIKey is NWVLXZFTZNYSRT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27F2NOSi/c1-20(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-15-17-14-21(22,23)16-24-17/h4-13,17,24H,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane has a molecular weight of 375.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 170771909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).