1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one

C13H15F2NO — CID 10263634

IUPAC1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one
SMILESCCC1C(=O)N(Cc2ccccc2)C1C(F)F
InChIInChI=1S/C13H15F2NO/c1-2-10-11(12(14)15)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
InChIKeyANDLOMDMTHTXGL-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.69
Rot. Bonds4

About 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one

1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one (PubChem CID 10263634) has the molecular formula C13H15F2NO and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one
PubChem CID10263634
Molecular FormulaC13H15F2NO
Molecular Weight239.27 g/mol
Exact Mass239.11
IUPAC Name1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one
SMILESCCC1C(=O)N(Cc2ccccc2)C1C(F)F
InChIInChI=1S/C13H15F2NO/c1-2-10-11(12(14)15)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3
InChIKeyANDLOMDMTHTXGL-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
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CID 121446757
N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide
CID 121446764
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(3-fluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446782
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
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N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]butanamide
CID 121446847

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one?
The IUPAC name of 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one (CID 10263634) is 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one.
What is the SMILES notation for 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one?
The canonical SMILES for 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one is CCC1C(=O)N(Cc2ccccc2)C1C(F)F.
What is the InChIKey of 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one?
The InChIKey is ANDLOMDMTHTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-2-10-11(12(14)15)16(13(10)17)8-9-6-4-3-5-7-9/h3-7,10-12H,2,8H2,1H3.
What are the key properties of 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one?
1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one has a molecular weight of 239.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(difluoromethyl)-3-ethylazetidin-2-one is sourced from PubChem (CID 10263634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).