(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine

C20H28FNOSi — CID 140870530

IUPAC(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(C)[Si](OC[C@@](C)(F)CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28FNOSi/c1-19(2,3)24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23-16-20(4,21)15-22/h5-14H,15-16,22H2,1-4H3/t20-/m0/s1
InChIKeyWKTJBZJJOXUUCY-FQEVSTJZSA-N
MW345.53 g/mol
LogP3.25
Rot. Bonds6

About (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine

(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine (PubChem CID 140870530) has the molecular formula C20H28FNOSi and a molecular weight of 345.53 g/mol. Its IUPAC name is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
PubChem CID140870530
Molecular FormulaC20H28FNOSi
Molecular Weight345.53 g/mol
Exact Mass345.19
IUPAC Name(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(C)[Si](OC[C@@](C)(F)CN)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H28FNOSi/c1-19(2,3)24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23-16-20(4,21)15-22/h5-14H,15-16,22H2,1-4H3/t20-/m0/s1
InChIKeyWKTJBZJJOXUUCY-FQEVSTJZSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.25
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 (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine (CID 140870530) is (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine is CC(C)(C)[Si](OC[C@@](C)(F)CN)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine?
The InChIKey is WKTJBZJJOXUUCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28FNOSi/c1-19(2,3)24(17-11-7-5-8-12-17,18-13-9-6-10-14-18)23-16-20(4,21)15-22/h5-14H,15-16,22H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine?
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine has a molecular weight of 345.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 140870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).