1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one

C11H10Cl2FNO — CID 168509484

IUPAC1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cccc(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO/c12-5-7-4-10(16)15(6-7)9-3-1-2-8(14)11(9)13/h1-3,7H,4-6H2
InChIKeyRJHIETMGZAUNSJ-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.07
Rot. Bonds2

About 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one

1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (PubChem CID 168509484) has the molecular formula C11H10Cl2FNO and a molecular weight of 262.11 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
PubChem CID168509484
Molecular FormulaC11H10Cl2FNO
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1cccc(F)c1Cl
InChIInChI=1S/C11H10Cl2FNO/c12-5-7-4-10(16)15(6-7)9-3-1-2-8(14)11(9)13/h1-3,7H,4-6H2
InChIKeyRJHIETMGZAUNSJ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
4-(chloromethyl)-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168507753
1-(2-bromo-3,4-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508533
4-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-2-one
CID 168508594
1-(2-amino-3,5-difluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509375
4-(chloromethyl)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 168509083
4-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-2-one
CID 168509517
1-(2-benzylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509240
1-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509018
4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168509079
1-(2-amino-5-fluoroquinazolin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509266

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one (CID 168509484) is 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
The InChIKey is RJHIETMGZAUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FNO/c12-5-7-4-10(16)15(6-7)9-3-1-2-8(14)11(9)13/h1-3,7H,4-6H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one?
1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one has a molecular weight of 262.11 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 168509484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).