1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one

C10H8Cl2FNO — CID 83079212

IUPAC1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C10H8Cl2FNO/c11-8-3-6(13)4-9(12)10(8)14-2-1-7(15)5-14/h3-4H,1-2,5H2
InChIKeyQDCUZWMHVCHGHP-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.91
Rot. Bonds1

About 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one

1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one (PubChem CID 83079212) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one
PubChem CID83079212
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one
SMILESO=C1CCN(c2c(Cl)cc(F)cc2Cl)C1
InChIInChI=1S/C10H8Cl2FNO/c11-8-3-6(13)4-9(12)10(8)14-2-1-7(15)5-14/h3-4H,1-2,5H2
InChIKeyQDCUZWMHVCHGHP-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-4-fluorophenyl)pyrrolidine-2,4-dione
CID 79515549
1-(2,4-Dichlorophenyl)pyrrolidine-2,4-dione
CID 79517489
1-(2-Chlorophenyl)pyrrolidine-2,4-dione
CID 79517494
1-(2,6-Dichlorophenyl)pyrrolidine
CID 10512880
1-(2-Chloro-6-fluorophenyl)piperidin-4-one
CID 116472169
1-(2,4-Dichloro-6-fluorophenyl)piperidin-4-one
CID 118904812
1-(2-Chloro-4-fluorophenyl)-3-fluoropiperidin-4-one
CID 118905161
1-(2,4-Dichloro-5-fluorophenyl)piperidin-4-one
CID 118905215
1-(2,4-Dichloro-3-fluorophenyl)piperidin-4-one
CID 142798169
1-(2-Chloro-6-fluorophenyl)pyrrolidine
CID 156133764
1-(2-Chloro-4-fluorophenyl)piperidin-4-one
CID 29080291
1-(3-Chloro-4-fluorophenyl)pyrrolidin-3-one
CID 43314852

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one (CID 83079212) is 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one is O=C1CCN(c2c(Cl)cc(F)cc2Cl)C1.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one?
The InChIKey is QDCUZWMHVCHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-8-3-6(13)4-9(12)10(8)14-2-1-7(15)5-14/h3-4H,1-2,5H2.
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one?
1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one has a molecular weight of 248.08 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)pyrrolidin-3-one is sourced from PubChem (CID 83079212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).