1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone

C12H13ClFNO — CID 116917007

IUPAC1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c13-8-3-4-11(14)10(6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2
InChIKeyGDALQWWQTAHLID-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.80
Rot. Bonds3

About 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone

1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone (PubChem CID 116917007) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
PubChem CID116917007
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1cc(Cl)ccc1F
InChIInChI=1S/C12H13ClFNO/c13-8-3-4-11(14)10(6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2
InChIKeyGDALQWWQTAHLID-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
cesium;carbanide;1-(3-chloro-5-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 176947510
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
1-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119771317
1-(2-amino-5-fluorophenyl)-2-piperidin-2-ylethanone
CID 105497824
2-(azetidin-2-yl)-1-(2-fluorophenyl)ethanone
CID 84664669
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone (CID 116917007) is 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is GDALQWWQTAHLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-8-3-4-11(14)10(6-8)12(16)7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone?
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 241.69 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116917007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).