[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate

C12H14FNO2 — CID 118879051

IUPAC[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CN[C@@H](c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3/t9?,12-/m1/s1
InChIKeyJHEHPSYIGSUTGE-FFFFSGIJSA-N
MW223.25 g/mol
LogP1.79
Rot. Bonds2

About [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate

[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate (PubChem CID 118879051) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
PubChem CID118879051
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)OC1CN[C@@H](c2ccccc2F)C1
InChIInChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3/t9?,12-/m1/s1
InChIKeyJHEHPSYIGSUTGE-FFFFSGIJSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate (CID 118879051) is [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate is CC(=O)OC1CN[C@@H](c2ccccc2F)C1.
What is the InChIKey of [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
The InChIKey is JHEHPSYIGSUTGE-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(15)16-9-6-12(14-7-9)10-4-2-3-5-11(10)13/h2-5,9,12,14H,6-7H2,1H3/t9?,12-/m1/s1.
What are the key properties of [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate?
[(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate has a molecular weight of 223.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(2-fluorophenyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 118879051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).