3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one

C13H16FNO3 — CID 62916919

IUPAC3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC(O)C1
InChIInChI=1S/C13H16FNO3/c14-10-2-1-3-12(8-10)18-7-5-13(17)15-6-4-11(16)9-15/h1-3,8,11,16H,4-7,9H2
InChIKeyWTXXYGVZDZRVHC-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.19
Rot. Bonds4

About 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one

3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 62916919) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID62916919
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCC(O)C1
InChIInChI=1S/C13H16FNO3/c14-10-2-1-3-12(8-10)18-7-5-13(17)15-6-4-11(16)9-15/h1-3,8,11,16H,4-7,9H2
InChIKeyWTXXYGVZDZRVHC-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
4-(4-fluorophenoxy)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 79031097
3-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 55131148
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000573
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one (CID 62916919) is 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one is O=C(CCOc1cccc(F)c1)N1CCC(O)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is WTXXYGVZDZRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-2-1-3-12(8-10)18-7-5-13(17)15-6-4-11(16)9-15/h1-3,8,11,16H,4-7,9H2.
What are the key properties of 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one?
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 253.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62916919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).