1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone

C13H16FNO2 — CID 116583525

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1ccc(F)cc1C(=O)CC1CCNC1
InChIInChI=1S/C13H16FNO2/c1-17-13-3-2-10(14)7-11(13)12(16)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3
InChIKeyVCVMRURCXIYGSI-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.02
Rot. Bonds4

About 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone

1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone (PubChem CID 116583525) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
PubChem CID116583525
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
SMILESCOc1ccc(F)cc1C(=O)CC1CCNC1
InChIInChI=1S/C13H16FNO2/c1-17-13-3-2-10(14)7-11(13)12(16)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3
InChIKeyVCVMRURCXIYGSI-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917076
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116917060
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
(E)-3-(5-fluoro-2-methoxyphenyl)-3-piperidin-4-ylprop-2-enoic acid
CID 98022250

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone (CID 116583525) is 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone is COc1ccc(F)cc1C(=O)CC1CCNC1.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone?
The InChIKey is VCVMRURCXIYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13-3-2-10(14)7-11(13)12(16)6-9-4-5-15-8-9/h2-3,7,9,15H,4-6,8H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone?
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone has a molecular weight of 237.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116583525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).