1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one

C12H13F2NO — CID 171519880

IUPAC1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(F)c(F)c(CN2CCCC2=O)c1
InChIInChI=1S/C12H13F2NO/c1-8-5-9(12(14)10(13)6-8)7-15-4-2-3-11(15)16/h5-6H,2-4,7H2,1H3
InChIKeyCZWXILHODJTQOD-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.40
Rot. Bonds2

About 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one

1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 171519880) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID171519880
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1cc(F)c(F)c(CN2CCCC2=O)c1
InChIInChI=1S/C12H13F2NO/c1-8-5-9(12(14)10(13)6-8)7-15-4-2-3-11(15)16/h5-6H,2-4,7H2,1H3
InChIKeyCZWXILHODJTQOD-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one (CID 171519880) is 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one is Cc1cc(F)c(F)c(CN2CCCC2=O)c1.
What is the InChIKey of 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is CZWXILHODJTQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-8-5-9(12(14)10(13)6-8)7-15-4-2-3-11(15)16/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one?
1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 225.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluoro-5-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 171519880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).