1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone

C11H19FN2O — CID 167480983

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone
SMILESCC1(C)C2CN(C(=O)CNCCF)CC21
InChIInChI=1S/C11H19FN2O/c1-11(2)8-6-14(7-9(8)11)10(15)5-13-4-3-12/h8-9,13H,3-7H2,1-2H3
InChIKeyINXZZMAGWSKDNK-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.66
Rot. Bonds4

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone (PubChem CID 167480983) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone
PubChem CID167480983
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone
SMILESCC1(C)C2CN(C(=O)CNCCF)CC21
InChIInChI=1S/C11H19FN2O/c1-11(2)8-6-14(7-9(8)11)10(15)5-13-4-3-12/h8-9,13H,3-7H2,1-2H3
InChIKeyINXZZMAGWSKDNK-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 156518014
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 166156959
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;2-formamidopropanamide
CID 166157150
N-[(2S)-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 167094324
N-[(2S)-1-[(1S,5R)-6-ethyl-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 167094336
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]-2,2,2-trifluoroacetamide
CID 167203414
N-[(1S)-1-cyclopropyl-2-[(5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2-difluoroacetamide
CID 167203607
N-[(2S)-3,3-dimethyl-1-[(1S,2R,5R)-2-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 167278825
Acetaldehyde;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2,2,2-trifluoroethylamino)ethanone;2-methylpropane
CID 167481696
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
N-[2-[(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]-2,2,2-trifluoroacetamide
CID 167521329
N-[2-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-oxoethyl]-2,2,2-trifluoroacetamide;ethane;2-methylpropane;N-propan-2-ylformamide
CID 167521459

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone (CID 167480983) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone is CC1(C)C2CN(C(=O)CNCCF)CC21.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone?
The InChIKey is INXZZMAGWSKDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-11(2)8-6-14(7-9(8)11)10(15)5-13-4-3-12/h8-9,13H,3-7H2,1-2H3.
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone has a molecular weight of 214.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-fluoroethylamino)ethanone is sourced from PubChem (CID 167480983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).