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

C14H19F3N2O3 — CID 167480973

IUPAC[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OC3(C(F)(F)F)CC3)CC21
InChIInChI=1S/C14H19F3N2O3/c1-12(2)8-6-19(7-9(8)12)10(20)5-18-11(21)22-13(3-4-13)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,21)
InChIKeyLWOGLEHZJWXPQB-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.92
Rot. Bonds3

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

[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (PubChem CID 167480973) has the molecular formula C14H19F3N2O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
PubChem CID167480973
Molecular FormulaC14H19F3N2O3
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate
SMILESCC1(C)C2CN(C(=O)CNC(=O)OC3(C(F)(F)F)CC3)CC21
InChIInChI=1S/C14H19F3N2O3/c1-12(2)8-6-19(7-9(8)12)10(20)5-18-11(21)22-13(3-4-13)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,21)
InChIKeyLWOGLEHZJWXPQB-UHFFFAOYSA-N
XLogP1.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The IUPAC name of [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate (CID 167480973) is [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The canonical SMILES for [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is CC1(C)C2CN(C(=O)CNC(=O)OC3(C(F)(F)F)CC3)CC21.
What is the InChIKey of [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
The InChIKey is LWOGLEHZJWXPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3/c1-12(2)8-6-19(7-9(8)12)10(20)5-18-11(21)22-13(3-4-13)14(15,16)17/h8-9H,3-7H2,1-2H3,(H,18,21).
What are the key properties of [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate?
[1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate has a molecular weight of 320.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclopropyl] N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 167480973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).