3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C13H16FNO2 — CID 143845941

IUPAC3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)12(16)9-13(17)15-7-1-2-8-15/h3-6,12,16H,1-2,7-9H2
InChIKeyKHRUFRMFTNNJRO-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.87
Rot. Bonds3

About 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 143845941) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID143845941
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)12(16)9-13(17)15-7-1-2-8-15/h3-6,12,16H,1-2,7-9H2
InChIKeyKHRUFRMFTNNJRO-UHFFFAOYSA-N
XLogP1.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(4-fluorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82083612
(3S)-3-hydroxy-3-pyridin-4-yl-1-pyrrolidin-1-ylpropan-1-one
CID 143270082
2-(4-fluorophenyl)-2-hydroxy-1-pyrrolidin-1-ylethanone
CID 82127986
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
4-amino-3-(4-fluoroanilino)-1-pyrrolidin-1-ylbutan-1-one
CID 66432533
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
CID 124703729
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
CID 174650896
(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
CID 94710037

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 143845941) is 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C(CC(O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KHRUFRMFTNNJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-3-10(4-6-11)12(16)9-13(17)15-7-1-2-8-15/h3-6,12,16H,1-2,7-9H2.
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 237.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 143845941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).