methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate

C13H16FNO2 — CID 162419893

IUPACmethyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12(15-8-4-5-9-15)10-6-2-3-7-11(10)14/h2-3,6-7,12H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyASLFAEFTQAHOJT-GFCCVEGCSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds3

About methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate

methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate (PubChem CID 162419893) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate
PubChem CID162419893
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate
SMILESCOC(=O)[C@@H](c1ccccc1F)N1CCCC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12(15-8-4-5-9-15)10-6-2-3-7-11(10)14/h2-3,6-7,12H,4-5,8-9H2,1H3/t12-/m1/s1
InChIKeyASLFAEFTQAHOJT-GFCCVEGCSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate?
The IUPAC name of methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate (CID 162419893) is methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate?
The canonical SMILES for methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate is COC(=O)[C@@H](c1ccccc1F)N1CCCC1.
What is the InChIKey of methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate?
The InChIKey is ASLFAEFTQAHOJT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)12(15-8-4-5-9-15)10-6-2-3-7-11(10)14/h2-3,6-7,12H,4-5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate?
methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate has a molecular weight of 237.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 162419893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).