2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide

C16H20F6N2O3 — CID 166891532

IUPAC2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide
SMILESCCC(C(NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C=O)C2(C)C)C(F)(F)F
InChIInChI=1S/C16H20F6N2O3/c1-4-7(15(17,18)19)11(23-13(27)16(20,21)22)12(26)24-5-8-10(9(24)6-25)14(8,2)3/h6-11H,4-5H2,1-3H3,(H,23,27)/t7?,8-,9+,10-,11?/m0/s1
InChIKeyUDYQFXYPYLNQFP-OIYZBFHHSA-N
MW402.34 g/mol
LogP2.30
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide

2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide (PubChem CID 166891532) has the molecular formula C16H20F6N2O3 and a molecular weight of 402.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide
PubChem CID166891532
Molecular FormulaC16H20F6N2O3
Molecular Weight402.34 g/mol
Exact Mass402.14
IUPAC Name2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide
SMILESCCC(C(NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C=O)C2(C)C)C(F)(F)F
InChIInChI=1S/C16H20F6N2O3/c1-4-7(15(17,18)19)11(23-13(27)16(20,21)22)12(26)24-5-8-10(9(24)6-25)14(8,2)3/h6-11H,4-5H2,1-3H3,(H,23,27)/t7?,8-,9+,10-,11?/m0/s1
InChIKeyUDYQFXYPYLNQFP-OIYZBFHHSA-N
XLogP2.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide 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 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide (CID 166891532) is 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide is CCC(C(NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C=O)C2(C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide?
The InChIKey is UDYQFXYPYLNQFP-OIYZBFHHSA-N. The full InChI is InChI=1S/C16H20F6N2O3/c1-4-7(15(17,18)19)11(23-13(27)16(20,21)22)12(26)24-5-8-10(9(24)6-25)14(8,2)3/h6-11H,4-5H2,1-3H3,(H,23,27)/t7?,8-,9+,10-,11?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide has a molecular weight of 402.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxo-3-(trifluoromethyl)pentan-2-yl]acetamide is sourced from PubChem (CID 166891532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).