2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone

C12H13ClFNO — CID 102865083

IUPAC2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1CCNC1
InChIInChI=1S/C12H13ClFNO/c13-10-3-1-2-8(12(10)14)6-11(16)9-4-5-15-7-9/h1-3,9,15H,4-7H2
InChIKeyGKDRNHUFIOYMRQ-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone

2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone (PubChem CID 102865083) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
PubChem CID102865083
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1CCNC1
InChIInChI=1S/C12H13ClFNO/c13-10-3-1-2-8(12(10)14)6-11(16)9-4-5-15-7-9/h1-3,9,15H,4-7H2
InChIKeyGKDRNHUFIOYMRQ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
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2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
4-[(3-chloro-2-fluorophenyl)methoxy]piperidine
CID 103695215
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
2-(4-chloro-2-fluorophenyl)-1-piperidin-4-ylethanone
CID 114863179
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone (CID 102865083) is 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone is O=C(Cc1cccc(Cl)c1F)C1CCNC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone?
The InChIKey is GKDRNHUFIOYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-10-3-1-2-8(12(10)14)6-11(16)9-4-5-15-7-9/h1-3,9,15H,4-7H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone?
2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone has a molecular weight of 241.69 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-pyrrolidin-3-ylethanone is sourced from PubChem (CID 102865083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).