1-benzyl-5-(difluoromethyl)pyrrolidin-2-one

C12H13F2NO — CID 71570783

IUPAC1-benzyl-5-(difluoromethyl)pyrrolidin-2-one
SMILESO=C1CCC(C(F)F)N1Cc1ccccc1
InChIInChI=1S/C12H13F2NO/c13-12(14)10-6-7-11(16)15(10)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyBIIBEKZXVCPOIS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.44
Rot. Bonds3

About 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one

1-benzyl-5-(difluoromethyl)pyrrolidin-2-one (PubChem CID 71570783) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(difluoromethyl)pyrrolidin-2-one
PubChem CID71570783
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-benzyl-5-(difluoromethyl)pyrrolidin-2-one
SMILESO=C1CCC(C(F)F)N1Cc1ccccc1
InChIInChI=1S/C12H13F2NO/c13-12(14)10-6-7-11(16)15(10)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyBIIBEKZXVCPOIS-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one (CID 71570783) is 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one is O=C1CCC(C(F)F)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one?
The InChIKey is BIIBEKZXVCPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-12(14)10-6-7-11(16)15(10)8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one?
1-benzyl-5-(difluoromethyl)pyrrolidin-2-one has a molecular weight of 225.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(difluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 71570783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).