(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

C15H25F3N2O3 — CID 70286669

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCC(C)(C)C(NC(=O)OC(C)(C)C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C15H25F3N2O3/c1-13(2,3)10(11(21)20-8-6-7-9-20)19-12(22)23-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22)
InChIKeyTYTLQLOQEXXUOZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.09
Rot. Bonds3

About (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate

(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (PubChem CID 70286669) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
PubChem CID70286669
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate
SMILESCC(C)(C)C(NC(=O)OC(C)(C)C(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C15H25F3N2O3/c1-13(2,3)10(11(21)20-8-6-7-9-20)19-12(22)23-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22)
InChIKeyTYTLQLOQEXXUOZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate (CID 70286669) is (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is CC(C)(C)C(NC(=O)OC(C)(C)C(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
The InChIKey is TYTLQLOQEXXUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-13(2,3)10(11(21)20-8-6-7-9-20)19-12(22)23-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22).
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate?
(1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate has a molecular weight of 338.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl) N-(3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 70286669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).