(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

C15H25F3N2O3 — CID 167482003

IUPAC(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC1(C)C
InChIInChI=1S/C15H25F3N2O3/c1-10-7-20(8-13(10,2)3)11(21)6-19-12(22)23-9-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22)
InChIKeyMOMQVYWHPGKTLE-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.81
Rot. Bonds4

About (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate

(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (PubChem CID 167482003) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Name(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
PubChem CID167482003
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Name(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate
SMILESCC1CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC1(C)C
InChIInChI=1S/C15H25F3N2O3/c1-10-7-20(8-13(10,2)3)11(21)6-19-12(22)23-9-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22)
InChIKeyMOMQVYWHPGKTLE-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The IUPAC name of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate (CID 167482003) is (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate.
What is the SMILES notation for (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The canonical SMILES for (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is CC1CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC1(C)C.
What is the InChIKey of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
The InChIKey is MOMQVYWHPGKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-10-7-20(8-13(10,2)3)11(21)6-19-12(22)23-9-14(4,5)15(16,17)18/h10H,6-9H2,1-5H3,(H,19,22).
What are the key properties of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate?
(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate has a molecular weight of 338.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-oxo-2-(3,3,4-trimethylpyrrolidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 167482003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).