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

C10H14F3NO3 — CID 142211222

IUPACtert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-5-6(10(11,12)13)14(7(5)15)8(16)17-9(2,3)4/h5-6H,1-4H3/t5?,6-/m1/s1
InChIKeyKLYCJDOCNIHEQR-PRJDIBJQSA-N
MW253.22 g/mol
LogP2.33
Rot. Bonds

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

tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate (PubChem CID 142211222) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
PubChem CID142211222
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Nametert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c1-5-6(10(11,12)13)14(7(5)15)8(16)17-9(2,3)4/h5-6H,1-4H3/t5?,6-/m1/s1
InChIKeyKLYCJDOCNIHEQR-PRJDIBJQSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71082312
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CID 131115537
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CID 162539171
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CID 58618366
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CID 66700218
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CID 101568501
CID 101568501
CID 177781108
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CID 178026337
CID 178026337

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate (CID 142211222) is tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate is CC1C(=O)N(C(=O)OC(C)(C)C)[C@H]1C(F)(F)F.
What is the InChIKey of tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
The InChIKey is KLYCJDOCNIHEQR-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-5-6(10(11,12)13)14(7(5)15)8(16)17-9(2,3)4/h5-6H,1-4H3/t5?,6-/m1/s1.
What are the key properties of tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate?
tert-butyl (4R)-3-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate has a molecular weight of 253.22 g/mol, XLogP of 2.33, 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-methyl-2-oxo-4-(trifluoromethyl)azetidine-1-carboxylate is sourced from PubChem (CID 142211222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).