1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one

C14H18FNO2 — CID 136578063

IUPAC1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(18-2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyFPWVPAOWDIKUCY-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds3

About 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one (PubChem CID 136578063) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
PubChem CID136578063
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
SMILESCOC(C)C(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-10(18-2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3
InChIKeyFPWVPAOWDIKUCY-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
methyl N-[3-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]phenyl]carbamate
CID 87035285
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 119288514
(2R)-2-(3-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021166
2-(3-fluorophenyl)-N-(1-phenylethyl)pyrrolidine-1-carbothioamide
CID 71890655
(2S)-2-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]pyrrolidine-1-carbothioamide
CID 97021167
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one (CID 136578063) is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one is COC(C)C(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
The InChIKey is FPWVPAOWDIKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(18-2)14(17)16-8-4-7-13(16)11-5-3-6-12(15)9-11/h3,5-6,9-10,13H,4,7-8H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one?
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one is sourced from PubChem (CID 136578063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).