3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone

C13H13F2NO — CID 168961119

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)F)c1)N1CC2CC2C1
InChIInChI=1S/C13H13F2NO/c14-12(15)8-2-1-3-9(4-8)13(17)16-6-10-5-11(10)7-16/h1-4,10-12H,5-7H2
InChIKeySUKDSLFMULSINB-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.72
Rot. Bonds2

About 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone

3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone (PubChem CID 168961119) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
PubChem CID168961119
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)F)c1)N1CC2CC2C1
InChIInChI=1S/C13H13F2NO/c14-12(15)8-2-1-3-9(4-8)13(17)16-6-10-5-11(10)7-16/h1-4,10-12H,5-7H2
InChIKeySUKDSLFMULSINB-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-azabicyclo[3.1.0]hexan-3-yl-(3-hydroxyphenyl)methanone
CID 84582108
(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 145229880
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 176864496
3-(difluoromethyl)benzoyl chloride
CID 58552883
3-azabicyclo[3.1.0]hexan-3-yl-(4-bromo-3-fluorophenyl)methanone
CID 162788159
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-hydroxyphenyl)methanone
CID 79403646
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
(1E)-3-(difluoromethyl)-N-hydroxybenzenecarboximidoyl chloride
CID 106892111
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-aminophenyl)methanone;hydrochloride
CID 119788128
3-[3-(5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)phenyl]-1H-imidazol-2-one
CID 167761619

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone (CID 168961119) is 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)F)c1)N1CC2CC2C1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone?
The InChIKey is SUKDSLFMULSINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-12(15)8-2-1-3-9(4-8)13(17)16-6-10-5-11(10)7-16/h1-4,10-12H,5-7H2.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone?
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone has a molecular weight of 237.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone is sourced from PubChem (CID 168961119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).