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

C12H19F2NO2 — CID 167481040

IUPAC(3R)-3-(difluoromethoxy)-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)OC(F)F
InChIInChI=1S/C12H19F2NO2/c1-7(17-11(13)14)4-10(16)15-5-8-9(6-15)12(8,2)3/h7-9,11H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyVOXYZBIOXQTCQR-AFPNSQJFSA-N
MW247.28 g/mol
LogP2.12
Rot. Bonds4

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

(3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one (PubChem CID 167481040) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one
PubChem CID167481040
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC Name(3R)-3-(difluoromethoxy)-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)OC(F)F
InChIInChI=1S/C12H19F2NO2/c1-7(17-11(13)14)4-10(16)15-5-8-9(6-15)12(8,2)3/h7-9,11H,4-6H2,1-3H3/t7-,8?,9?/m1/s1
InChIKeyVOXYZBIOXQTCQR-AFPNSQJFSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The IUPAC name of (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one (CID 167481040) is (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one.
What is the SMILES notation for (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The canonical SMILES for (3R)-3-(difluoromethoxy)-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)OC(F)F.
What is the InChIKey of (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
The InChIKey is VOXYZBIOXQTCQR-AFPNSQJFSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-7(17-11(13)14)4-10(16)15-5-8-9(6-15)12(8,2)3/h7-9,11H,4-6H2,1-3H3/t7-,8?,9?/m1/s1.
What are the key properties of (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one?
(3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one has a molecular weight of 247.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one is sourced from PubChem (CID 167481040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).