5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one

C12H13ClFNO — CID 3024933

IUPAC5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C12H13ClFNO/c1-7-5-8(15-12(7)16)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyRLCUWHNKCGKHPK-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.55
Rot. Bonds2

About 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one

5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 3024933) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
PubChem CID3024933
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCC1CC(Cc2c(F)cccc2Cl)NC1=O
InChIInChI=1S/C12H13ClFNO/c1-7-5-8(15-12(7)16)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyRLCUWHNKCGKHPK-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one (CID 3024933) is 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one is CC1CC(Cc2c(F)cccc2Cl)NC1=O.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is RLCUWHNKCGKHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7-5-8(15-12(7)16)6-9-10(13)3-2-4-11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 241.69 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 3024933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).