1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one

C12H10ClF2NO — CID 168685609

IUPAC1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)c(F)cc2F)C1
InChIInChI=1S/C12H10ClF2NO/c1-2-7-3-12(17)16(6-7)11-4-8(13)9(14)5-10(11)15/h2,4-5,7H,1,3,6H2
InChIKeyFSANVTSFNTYNGV-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.16
Rot. Bonds2

About 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one

1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168685609) has the molecular formula C12H10ClF2NO and a molecular weight of 257.67 g/mol. Its IUPAC name is 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168685609
Molecular FormulaC12H10ClF2NO
Molecular Weight257.67 g/mol
Exact Mass257.04
IUPAC Name1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)c(F)cc2F)C1
InChIInChI=1S/C12H10ClF2NO/c1-2-7-3-12(17)16(6-7)11-4-8(13)9(14)5-10(11)15/h2,4-5,7H,1,3,6H2
InChIKeyFSANVTSFNTYNGV-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168686294
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(5-chloro-2-hydroxy-4-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685655
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one (CID 168685609) is 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Cl)c(F)cc2F)C1.
What is the InChIKey of 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is FSANVTSFNTYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO/c1-2-7-3-12(17)16(6-7)11-4-8(13)9(14)5-10(11)15/h2,4-5,7H,1,3,6H2.
What are the key properties of 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one?
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 257.67 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).