2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone

C12H13ClFNO — CID 56923362

IUPAC2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-4-3-9(11(14)8-10)7-12(16)15-5-1-2-6-15/h3-4,8H,1-2,5-7H2
InChIKeyDFCFRDGHYFAEES-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.64
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone

2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 56923362) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
PubChem CID56923362
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccc(Cl)cc1F)N1CCCC1
InChIInChI=1S/C12H13ClFNO/c13-10-4-3-9(11(14)8-10)7-12(16)15-5-1-2-6-15/h3-4,8H,1-2,5-7H2
InChIKeyDFCFRDGHYFAEES-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 84755487
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone (CID 56923362) is 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone is O=C(Cc1ccc(Cl)cc1F)N1CCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is DFCFRDGHYFAEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-4-3-9(11(14)8-10)7-12(16)15-5-1-2-6-15/h3-4,8H,1-2,5-7H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone?
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 241.69 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56923362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).