tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate

C11H16F3NO3 — CID 58765874

IUPACtert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(C)[C@@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6(11(12,13)14)10(4,5)7(15)16/h6H,1-5H3/t6-/m1/s1
InChIKeyGIFBYHXFLIXPNO-ZCFIWIBFSA-N
MW267.25 g/mol
LogP2.72
Rot. Bonds

About tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate

tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate (PubChem CID 58765874) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
PubChem CID58765874
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Nametert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C(C)(C)[C@@H]1C(F)(F)F
InChIInChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6(11(12,13)14)10(4,5)7(15)16/h6H,1-5H3/t6-/m1/s1
InChIKeyGIFBYHXFLIXPNO-ZCFIWIBFSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate (CID 58765874) is tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C(C)(C)[C@@H]1C(F)(F)F.
What is the InChIKey of tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The InChIKey is GIFBYHXFLIXPNO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-9(2,3)18-8(17)15-6(11(12,13)14)10(4,5)7(15)16/h6H,1-5H3/t6-/m1/s1.
What are the key properties of tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3,3-dimethyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate is sourced from PubChem (CID 58765874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).