acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane

C23H43F3N2O3 — CID 167481928

IUPACacetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC=O)CC21.CC=O.CCC(C)(CC)C(F)(F)F
InChIInChI=1S/C10H16N2O2.C7H13F3.C4H10.C2H4O/c1-10(2)7-4-12(5-8(7)10)9(14)3-11-6-13;1-4-6(3,5-2)7(8,9)10;1-4(2)3;1-2-3/h6-8H,3-5H2,1-2H3,(H,11,13);4-5H2,1-3H3;4H,1-3H3;2H,1H3
InChIKeyFNWPYTILUULNLX-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.09
Rot. Bonds5

About acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane

acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane (PubChem CID 167481928) has the molecular formula C23H43F3N2O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Nameacetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane
PubChem CID167481928
Molecular FormulaC23H43F3N2O3
Molecular Weight452.60 g/mol
Exact Mass452.32
IUPAC Nameacetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane
SMILESCC(C)C.CC1(C)C2CN(C(=O)CNC=O)CC21.CC=O.CCC(C)(CC)C(F)(F)F
InChIInChI=1S/C10H16N2O2.C7H13F3.C4H10.C2H4O/c1-10(2)7-4-12(5-8(7)10)9(14)3-11-6-13;1-4-6(3,5-2)7(8,9)10;1-4(2)3;1-2-3/h6-8H,3-5H2,1-2H3,(H,11,13);4-5H2,1-3H3;4H,1-3H3;2H,1H3
InChIKeyFNWPYTILUULNLX-UHFFFAOYSA-N
XLogP5.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane?
The IUPAC name of acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane (CID 167481928) is acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane?
The canonical SMILES for acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane is CC(C)C.CC1(C)C2CN(C(=O)CNC=O)CC21.CC=O.CCC(C)(CC)C(F)(F)F.
What is the InChIKey of acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane?
The InChIKey is FNWPYTILUULNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2.C7H13F3.C4H10.C2H4O/c1-10(2)7-4-12(5-8(7)10)9(14)3-11-6-13;1-4-6(3,5-2)7(8,9)10;1-4(2)3;1-2-3/h6-8H,3-5H2,1-2H3,(H,11,13);4-5H2,1-3H3;4H,1-3H3;2H,1H3.
What are the key properties of acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane?
acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane has a molecular weight of 452.60 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]formamide;2-methylpropane;3-methyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 167481928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).