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

C23H31F2NO2Si — CID 169181636

IUPACN-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H](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/t18?,21-/m1/s1
InChIKeyAACHGJYQZTYOQX-BDPMCISCSA-N
MW419.59 g/mol
LogP3.58
Rot. Bonds8

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

N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine (PubChem CID 169181636) has the molecular formula C23H31F2NO2Si and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
PubChem CID169181636
Molecular FormulaC23H31F2NO2Si
Molecular Weight419.59 g/mol
Exact Mass419.21
IUPAC NameN-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine
SMILESCC(C)(C)[Si](OC[C@@H](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/t18?,21-/m1/s1
InChIKeyAACHGJYQZTYOQX-BDPMCISCSA-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'}

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

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Related Compounds

(S)-2-(((Tert-butyldiphenylsilyl)oxy)methyl)pyrrolidine
CID 11234959
C21H29NOSi
CID 72762622
tert-butyl-[(3S,4S)-4-fluoropyrrolidin-3-yl]oxy-diphenylsilane
CID 140882011
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluorocyclohexan-1-amine
CID 156893660
2-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 163278673
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethyl]-2,2-difluoroethanamine
CID 169181672
N-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
CID 169182636
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine
CID 169182736
tert-butyl-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-diphenylsilane
CID 170771909
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
CID 172785843
N-[2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethyl]oxolan-3-amine
CID 174058629
1-[tert-butyl(diphenyl)silyl]oxy-N-(3,3-difluoropropyl)but-3-en-2-amine
CID 174058685

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The IUPAC name of N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine (CID 169181636) is N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine.
What is the SMILES notation for N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The canonical SMILES for N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine is CC(C)(C)[Si](OC[C@@H](NC1CCOC1)C(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
The InChIKey is AACHGJYQZTYOQX-BDPMCISCSA-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/t18?,21-/m1/s1.
What are the key properties of N-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine?
N-[(2R)-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-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,1-difluoropropan-2-yl]oxolan-3-amine is sourced from PubChem (CID 169181636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).