N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine

C23H31F2NO2Si — CID 174058831

IUPACN-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
SMILESCC(C)(C)[Si](OCC(NC1CCOC1)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31F2NO2Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21(22(24)25)26-18-14-15-27-16-18/h4-13,18,21-22,26H,14-17H2,1-3H3
InChIKeyAACHGJYQZTYOQX-UHFFFAOYSA-N
MW419.59 g/mol
LogP3.58
Rot. Bonds8

About N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine

N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine (PubChem CID 174058831) has the molecular formula C23H31F2NO2Si and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
PubChem CID174058831
Molecular FormulaC23H31F2NO2Si
Molecular Weight419.59 g/mol
Exact Mass419.21
IUPAC NameN-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
SMILESCC(C)(C)[Si](OCC(NC1CCOC1)C(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31F2NO2Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21(22(24)25)26-18-14-15-27-16-18/h4-13,18,21-22,26H,14-17H2,1-3H3
InChIKeyAACHGJYQZTYOQX-UHFFFAOYSA-N
XLogP3.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The IUPAC name of N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine (CID 174058831) is N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine.
What is the SMILES notation for N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The canonical SMILES for N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine is CC(C)(C)[Si](OCC(NC1CCOC1)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The InChIKey is AACHGJYQZTYOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2NO2Si/c1-23(2,3)29(19-10-6-4-7-11-19,20-12-8-5-9-13-20)28-17-21(22(24)25)26-18-14-15-27-16-18/h4-13,18,21-22,26H,14-17H2,1-3H3.
What are the key properties of N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine has a molecular weight of 419.59 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine is sourced from PubChem (CID 174058831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).