2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone

C13H16FNO2 — CID 116547496

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
SMILESCOc1cccc(CC(=O)C2CCCN2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-12-6-2-4-9(13(12)14)8-11(16)10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3
InChIKeyDYVIXVMACRZZCF-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.70
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone

2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone (PubChem CID 116547496) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
PubChem CID116547496
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
SMILESCOc1cccc(CC(=O)C2CCCN2)c1F
InChIInChI=1S/C13H16FNO2/c1-17-12-6-2-4-9(13(12)14)8-11(16)10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3
InChIKeyDYVIXVMACRZZCF-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
1-(2-fluoro-3-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563754
2-(5-bromo-2-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547520
2-[(2-fluoro-3-methoxyphenyl)methoxymethyl]pyrrolidine
CID 104792599
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
2-(2-fluoro-3-methoxyphenyl)-1-(thian-2-yl)ethanone
CID 113453748
2-(2,3-dichlorophenyl)-1-pyrrolidin-2-ylethanone
CID 107311274
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116573215
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone (CID 116547496) is 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone is COc1cccc(CC(=O)C2CCCN2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone?
The InChIKey is DYVIXVMACRZZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-12-6-2-4-9(13(12)14)8-11(16)10-5-3-7-15-10/h2,4,6,10,15H,3,5,7-8H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone?
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone has a molecular weight of 237.27 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116547496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).