(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one

C16H25F2NO2 — CID 167481893

IUPAC(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CC2C([C@H]1C)C2(C)C)OC1CC(F)(F)C1
InChIInChI=1S/C16H25F2NO2/c1-9(21-11-6-16(17,18)7-11)5-13(20)19-8-12-14(10(19)2)15(12,3)4/h9-12,14H,5-8H2,1-4H3/t9-,10-,12?,14?/m1/s1
InChIKeyHGSZWFZNJSZCAD-XOAXOQPSSA-N
MW301.38 g/mol
LogP3.08
Rot. Bonds4

About (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one

(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one (PubChem CID 167481893) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one
PubChem CID167481893
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one
SMILESC[C@H](CC(=O)N1CC2C([C@H]1C)C2(C)C)OC1CC(F)(F)C1
InChIInChI=1S/C16H25F2NO2/c1-9(21-11-6-16(17,18)7-11)5-13(20)19-8-12-14(10(19)2)15(12,3)4/h9-12,14H,5-8H2,1-4H3/t9-,10-,12?,14?/m1/s1
InChIKeyHGSZWFZNJSZCAD-XOAXOQPSSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one with MolForge

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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
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
(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
CID 167481031
(3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
CID 167481040
(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-1-one
CID 167481112
(3R)-3-(difluoromethoxy)-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one
CID 167481165
(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(2,2,2-trifluoroethoxy)butan-1-one
CID 167481345

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one?
The IUPAC name of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one (CID 167481893) is (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one.
What is the SMILES notation for (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one?
The canonical SMILES for (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one is C[C@H](CC(=O)N1CC2C([C@H]1C)C2(C)C)OC1CC(F)(F)C1.
What is the InChIKey of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one?
The InChIKey is HGSZWFZNJSZCAD-XOAXOQPSSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-9(21-11-6-16(17,18)7-11)5-13(20)19-8-12-14(10(19)2)15(12,3)4/h9-12,14H,5-8H2,1-4H3/t9-,10-,12?,14?/m1/s1.
What are the key properties of (3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one?
(3R)-3-(3,3-difluorocyclobutyl)oxy-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one has a molecular weight of 301.38 g/mol, XLogP of 3.08, 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-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one is sourced from PubChem (CID 167481893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).