1-benzhydryl-3,3-difluoroazetidin-2-one

C16H13F2NO — CID 11265761

IUPAC1-benzhydryl-3,3-difluoroazetidin-2-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)CC1(F)F
InChIInChI=1S/C16H13F2NO/c17-16(18)11-19(15(16)20)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyATMWTYPQWCFDRL-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.25
Rot. Bonds3

About 1-benzhydryl-3,3-difluoroazetidin-2-one

1-benzhydryl-3,3-difluoroazetidin-2-one (PubChem CID 11265761) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-benzhydryl-3,3-difluoroazetidin-2-one.

Molecular Properties

Compound Name1-benzhydryl-3,3-difluoroazetidin-2-one
PubChem CID11265761
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-benzhydryl-3,3-difluoroazetidin-2-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)CC1(F)F
InChIInChI=1S/C16H13F2NO/c17-16(18)11-19(15(16)20)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyATMWTYPQWCFDRL-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-benzyl-N-isopropyl-3-phenylpropanamide
CID 875288
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-benzyl-2,2,2-trifluoro-N-methylacetamide
CID 563406
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]ethan-1-one
CID 10357373
2,2-Dimethyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 132016672
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851896
1-(Diphenylmethyl)azetidin-3-one
CID 3735558
N,N'-Dibenzyl-N,N'-diisopropyl-malonamide
CID 3868220
2-Methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 44825476

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3,3-difluoroazetidin-2-one?
The IUPAC name of 1-benzhydryl-3,3-difluoroazetidin-2-one (CID 11265761) is 1-benzhydryl-3,3-difluoroazetidin-2-one.
What is the SMILES notation for 1-benzhydryl-3,3-difluoroazetidin-2-one?
The canonical SMILES for 1-benzhydryl-3,3-difluoroazetidin-2-one is O=C1N(C(c2ccccc2)c2ccccc2)CC1(F)F.
What is the InChIKey of 1-benzhydryl-3,3-difluoroazetidin-2-one?
The InChIKey is ATMWTYPQWCFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-16(18)11-19(15(16)20)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 1-benzhydryl-3,3-difluoroazetidin-2-one?
1-benzhydryl-3,3-difluoroazetidin-2-one has a molecular weight of 273.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3,3-difluoroazetidin-2-one is sourced from PubChem (CID 11265761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).