N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane

C17H31F3N2O4 — CID 167522178

IUPACN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane
SMILESC=O.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.CO
InChIInChI=1S/C11H15F3N2O2.C4H10.CH4O.CH2O/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-4(2)3;2*1-2/h6-7H,3-5H2,1-2H3,(H,15,18);4H,1-3H3;2H,1H3;1H2
InChIKeyNGDGVHCEBRXNOM-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.87
Rot. Bonds2

About N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane

N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane (PubChem CID 167522178) has the molecular formula C17H31F3N2O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane.

Molecular Properties

Compound NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane
PubChem CID167522178
Molecular FormulaC17H31F3N2O4
Molecular Weight384.44 g/mol
Exact Mass384.22
IUPAC NameN-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane
SMILESC=O.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.CO
InChIInChI=1S/C11H15F3N2O2.C4H10.CH4O.CH2O/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-4(2)3;2*1-2/h6-7H,3-5H2,1-2H3,(H,15,18);4H,1-3H3;2H,1H3;1H2
InChIKeyNGDGVHCEBRXNOM-UHFFFAOYSA-N
XLogP1.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane?
The IUPAC name of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane (CID 167522178) is N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane.
What is the SMILES notation for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane?
The canonical SMILES for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane is C=O.CC(C)C.CC1(C)C2CN(C(=O)CNC(=O)C(F)(F)F)CC21.CO.
What is the InChIKey of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane?
The InChIKey is NGDGVHCEBRXNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2.C4H10.CH4O.CH2O/c1-10(2)6-4-16(5-7(6)10)8(17)3-15-9(18)11(12,13)14;1-4(2)3;2*1-2/h6-7H,3-5H2,1-2H3,(H,15,18);4H,1-3H3;2H,1H3;1H2.
What are the key properties of N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane?
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane has a molecular weight of 384.44 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;formaldehyde;methanol;2-methylpropane is sourced from PubChem (CID 167522178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).