3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one

C14H18FNO2 — CID 70954403

IUPAC3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10(14(18)16-8-2-3-9-16)13(17)11-4-6-12(15)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3
InChIKeyAUSQYAKFVPHSKC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds3

About 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one

3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70954403) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70954403
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)C(O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10(14(18)16-8-2-3-9-16)13(17)11-4-6-12(15)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3
InChIKeyAUSQYAKFVPHSKC-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 70954403) is 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)C(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AUSQYAKFVPHSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(14(18)16-8-2-3-9-16)13(17)11-4-6-12(15)7-5-11/h4-7,10,13,17H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 251.30 g/mol, XLogP of 2.12, 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-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70954403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).