(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

C15H23F3N2O3 — CID 167481452

IUPAC(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC21
InChIInChI=1S/C15H23F3N2O3/c1-13(2,15(16,17)18)8-23-12(22)19-5-11(21)20-6-9-10(7-20)14(9,3)4/h9-10H,5-8H2,1-4H3,(H,19,22)
InChIKeyAJYAAGJHCBDRDO-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.42
Rot. Bonds4

About (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (PubChem CID 167481452) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
PubChem CID167481452
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC21
InChIInChI=1S/C15H23F3N2O3/c1-13(2,15(16,17)18)8-23-12(22)19-5-11(21)20-6-9-10(7-20)14(9,3)4/h9-10H,5-8H2,1-4H3,(H,19,22)
InChIKeyAJYAAGJHCBDRDO-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.42
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-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (CID 167481452) is (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is CC1(C)C2CN(C(=O)CNC(=O)OCC(C)(C)C(F)(F)F)CC21.
What is the InChIKey of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The InChIKey is AJYAAGJHCBDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-13(2,15(16,17)18)8-23-12(22)19-5-11(21)20-6-9-10(7-20)14(9,3)4/h9-10H,5-8H2,1-4H3,(H,19,22).
What are the key properties of (3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
(3,3,3-trifluoro-2,2-dimethylpropyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate has a molecular weight of 336.35 g/mol, XLogP of 2.42, 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-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 167481452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).