2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

C13H15ClFNO — CID 116572464

IUPAC2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-16-7-10(8)13(17)5-9-11(14)3-2-4-12(9)15/h2-4,8,10,16H,5-7H2,1H3
InChIKeySSTZIFMONBANBT-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.45
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (PubChem CID 116572464) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
PubChem CID116572464
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H15ClFNO/c1-8-6-16-7-10(8)13(17)5-9-11(14)3-2-4-12(9)15/h2-4,8,10,16H,5-7H2,1H3
InChIKeySSTZIFMONBANBT-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methylpyrrolidine-3-carboxamide
CID 63715633
(3S,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 98540400
2-(2,5-dichlorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572598
2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 65420161
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572487
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705208
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63013840
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (CID 116572464) is 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is CC1CNCC1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The InChIKey is SSTZIFMONBANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-8-6-16-7-10(8)13(17)5-9-11(14)3-2-4-12(9)15/h2-4,8,10,16H,5-7H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone has a molecular weight of 255.72 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116572464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).