1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one

C13H16FNO2 — CID 62941183

IUPAC1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(O)C1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)6-8-15-7-5-10(16)9-15/h1-4,10,16H,5-9H2
InChIKeyPNKZFUAVXSBCQZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.47
Rot. Bonds4

About 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one

1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 62941183) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
PubChem CID62941183
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one
SMILESO=C(CCN1CCC(O)C1)c1ccccc1F
InChIInChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)6-8-15-7-5-10(16)9-15/h1-4,10,16H,5-9H2
InChIKeyPNKZFUAVXSBCQZ-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-one
CID 62619210
1-(2,3-difluorophenyl)-3-(3-hydroxypiperidin-1-yl)propan-1-one
CID 114059458
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530
3-(4-cyclopropylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 62645116
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)propan-1-one
CID 62643032
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
(3R)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-3-ol
CID 78963291
3-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 102966821
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)propan-1-one
CID 65324258
1-(2-fluorophenyl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 10112652

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one (CID 62941183) is 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one is O=C(CCN1CCC(O)C1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is PNKZFUAVXSBCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-4-2-1-3-11(12)13(17)6-8-15-7-5-10(16)9-15/h1-4,10,16H,5-9H2.
What are the key properties of 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one?
1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 237.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 62941183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).