3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one

C15H17F3N2O — CID 90703935

IUPAC3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one
SMILESCNC1C2CN(C(=O)C(c3ccccc3)C(F)(F)F)CC21
InChIInChI=1S/C15H17F3N2O/c1-19-13-10-7-20(8-11(10)13)14(21)12(15(16,17)18)9-5-3-2-4-6-9/h2-6,10-13,19H,7-8H2,1H3
InChIKeyKCBFXGXXCOUFJO-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.01
Rot. Bonds3

About 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one

3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one (PubChem CID 90703935) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one
PubChem CID90703935
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one
SMILESCNC1C2CN(C(=O)C(c3ccccc3)C(F)(F)F)CC21
InChIInChI=1S/C15H17F3N2O/c1-19-13-10-7-20(8-11(10)13)14(21)12(15(16,17)18)9-5-3-2-4-6-9/h2-6,10-13,19H,7-8H2,1H3
InChIKeyKCBFXGXXCOUFJO-UHFFFAOYSA-N
XLogP2.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one with MolForge

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Related Compounds

(3S,4S)-1-(2,2-diphenylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951418
3,3,3-trifluoro-2-phenylpropanoyl bromide
CID 174737113
1-(2,2-diphenylacetyl)-N-methylazetidine-3-carboxamide
CID 136532080
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
(1S,5R)-3-[(2R)-2-hydroxy-2-phenylacetyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 77085743
ethyl 3,3,3-trifluoro-2-phenylpropanoate
CID 10399031
2-chloro-N-methyl-4-[4-[1-(3,3,3-trifluoro-2-phenylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]benzamide
CID 162619452
[(2R)-1,1,1-trifluoro-3-methylbut-3-en-2-yl]benzene
CID 162576460
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-[3-(methylamino)piperidin-1-yl]-2-methylsulfanyl-2-phenylethanone
CID 119491408
cyclohexyl 3,3,3-trifluoro-2-phenylpropanoate
CID 142194176
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one (CID 90703935) is 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one is CNC1C2CN(C(=O)C(c3ccccc3)C(F)(F)F)CC21.
What is the InChIKey of 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one?
The InChIKey is KCBFXGXXCOUFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-19-13-10-7-20(8-11(10)13)14(21)12(15(16,17)18)9-5-3-2-4-6-9/h2-6,10-13,19H,7-8H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one?
3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one has a molecular weight of 298.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 90703935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).