(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one

C15H23F2NO2 — CID 167481031

IUPAC(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1
InChIInChI=1S/C15H23F2NO2/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3/h9-12H,4-8H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeySQNHBNGHNXWAMS-OIKLOGQESA-N
MW287.35 g/mol
LogP2.69
Rot. Bonds4

About (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one

(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one (PubChem CID 167481031) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
PubChem CID167481031
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1
InChIInChI=1S/C15H23F2NO2/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3/h9-12H,4-8H2,1-3H3/t9-,11?,12?/m1/s1
InChIKeySQNHBNGHNXWAMS-OIKLOGQESA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;formic acid
CID 167481253
(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;ethane;formic acid
CID 167481280
(3R)-3-cyclobutyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;N-propan-2-ylformamide;2,2,2-trifluoroacetamide
CID 167481633
(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;methyl formate
CID 167481687
1-[(1S,5R)-6,6-bis(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[(2-methylpropan-2-yl)oxy]butan-1-one
CID 167482056
1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-[1-(trifluoromethyl)cyclopropyl]oxypropan-1-one
CID 169655693
3-(3,3-difluorocyclobutyl)oxy-1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 169655724
1-[(1S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-[1-(trifluoromethyl)cyclobutyl]oxypropan-1-one
CID 169655768
[(3S)-oxolan-3-yl]-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 100747037
[(3S)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 100747041
[(3R)-oxolan-3-yl]-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 100747047
[(3R)-oxolan-3-yl]-[(9R)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 100747053

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The IUPAC name of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one (CID 167481031) is (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one.
What is the SMILES notation for (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The canonical SMILES for (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one is C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1.
What is the InChIKey of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The InChIKey is SQNHBNGHNXWAMS-OIKLOGQESA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3/h9-12H,4-8H2,1-3H3/t9-,11?,12?/m1/s1.
What are the key properties of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one has a molecular weight of 287.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one is sourced from PubChem (CID 167481031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).