(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one

C10H18F3NO2Si — CID 100980511

IUPAC(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)N[C@@H]1C(F)(F)F
InChIInChI=1S/C10H18F3NO2Si/c1-9(2,3)17(4,5)16-6-7(10(11,12)13)14-8(6)15/h6-7H,1-5H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyFBXDAUJEIFYKTI-RQJHMYQMSA-N
MW269.34 g/mol
LogP2.44
Rot. Bonds2

About (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one

(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 100980511) has the molecular formula C10H18F3NO2Si and a molecular weight of 269.34 g/mol. Its IUPAC name is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID100980511
Molecular FormulaC10H18F3NO2Si
Molecular Weight269.34 g/mol
Exact Mass269.11
IUPAC Name(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)N[C@@H]1C(F)(F)F
InChIInChI=1S/C10H18F3NO2Si/c1-9(2,3)17(4,5)16-6-7(10(11,12)13)14-8(6)15/h6-7H,1-5H3,(H,14,15)/t6-,7+/m1/s1
InChIKeyFBXDAUJEIFYKTI-RQJHMYQMSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one (CID 100980511) is (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C(=O)N[C@@H]1C(F)(F)F.
What is the InChIKey of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is FBXDAUJEIFYKTI-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H18F3NO2Si/c1-9(2,3)17(4,5)16-6-7(10(11,12)13)14-8(6)15/h6-7H,1-5H3,(H,14,15)/t6-,7+/m1/s1.
What are the key properties of (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one?
(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 100980511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).