(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

C15H21F3N2O3 — CID 167481552

IUPAC(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OC(C3CC3)C(F)(F)F)CC21
InChIInChI=1S/C15H21F3N2O3/c1-14(2)9-6-20(7-10(9)14)11(21)5-19-13(22)23-12(8-3-4-8)15(16,17)18/h8-10,12H,3-7H2,1-2H3,(H,19,22)
InChIKeyBCLHSAPIEOBUON-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.17
Rot. Bonds4

About (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate

(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (PubChem CID 167481552) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
PubChem CID167481552
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OC(C3CC3)C(F)(F)F)CC21
InChIInChI=1S/C15H21F3N2O3/c1-14(2)9-6-20(7-10(9)14)11(21)5-19-13(22)23-12(8-3-4-8)15(16,17)18/h8-10,12H,3-7H2,1-2H3,(H,19,22)
InChIKeyBCLHSAPIEOBUON-UHFFFAOYSA-N
XLogP2.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (CID 167481552) is (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is CC1(C)C2CN(C(=O)CNC(=O)OC(C3CC3)C(F)(F)F)CC21.
What is the InChIKey of (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The InChIKey is BCLHSAPIEOBUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-14(2)9-6-20(7-10(9)14)11(21)5-19-13(22)23-12(8-3-4-8)15(16,17)18/h8-10,12H,3-7H2,1-2H3,(H,19,22).
What are the key properties of (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
(1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate has a molecular weight of 334.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,2,2-trifluoroethyl) N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 167481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).