1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one

C8H11F2NO — CID 134571880

IUPAC1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-3-5-6(4-11)8(5,9)10/h5-6H,2-4H2,1H3
InChIKeyLXMUUQSXINYOAG-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.12
Rot. Bonds1

About 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one

1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one (PubChem CID 134571880) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
PubChem CID134571880
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one
SMILESCCC(=O)N1CC2C(C1)C2(F)F
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-3-5-6(4-11)8(5,9)10/h5-6H,2-4H2,1H3
InChIKeyLXMUUQSXINYOAG-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-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

1-[(5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 167481102
1-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 122536398
1-(3-fluoro-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 77405134
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[3-(2-methylpropyl)azetidin-1-yl]propan-1-one
CID 126603690
1-(3-bromo-4-methylpyrrolidin-1-yl)propan-1-one
CID 131185931
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)propan-1-one
CID 74881668
1-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 175321158
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
1-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]propan-1-one
CID 102679674

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The IUPAC name of 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one (CID 134571880) is 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one.
What is the SMILES notation for 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The canonical SMILES for 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one is CCC(=O)N1CC2C(C1)C2(F)F.
What is the InChIKey of 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
The InChIKey is LXMUUQSXINYOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-7(12)11-3-5-6(4-11)8(5,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one?
1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one has a molecular weight of 175.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)propan-1-one is sourced from PubChem (CID 134571880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).