4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

C11H11ClFNO2 — CID 168508834

IUPAC4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(O)c(F)c1
InChIInChI=1S/C11H11ClFNO2/c12-5-7-3-11(16)14(6-7)8-1-2-10(15)9(13)4-8/h1-2,4,7,15H,3,5-6H2
InChIKeyADJFXYWIQFVRHD-UHFFFAOYSA-N
MW243.66 g/mol
LogP2.12
Rot. Bonds2

About 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 168508834) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
PubChem CID168508834
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(O)c(F)c1
InChIInChI=1S/C11H11ClFNO2/c12-5-7-3-11(16)14(6-7)8-1-2-10(15)9(13)4-8/h1-2,4,7,15H,3,5-6H2
InChIKeyADJFXYWIQFVRHD-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168508820
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
1-(4-chloro-3-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671508
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
4-(bromomethyl)-1-(4-hydroxy-3-methylphenyl)pyrrolidin-2-one
CID 168504407
4-(chloromethyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 168507625
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
4-benzoyl-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 57445406
4-(chloromethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidin-2-one
CID 168508919
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
[1-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682499

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one (CID 168508834) is 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(O)c(F)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is ADJFXYWIQFVRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-5-7-3-11(16)14(6-7)8-1-2-10(15)9(13)4-8/h1-2,4,7,15H,3,5-6H2.
What are the key properties of 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 243.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168508834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).