[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate

C8H14FNO2 — CID 86614898

IUPAC[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CCN(CCF)C1
InChIInChI=1S/C8H14FNO2/c1-7(11)12-8-2-4-10(6-8)5-3-9/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyVPVNVRKPLVBZHD-QMMMGPOBSA-N
MW175.20 g/mol
LogP0.59
Rot. Bonds3

About [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate

[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate (PubChem CID 86614898) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate
PubChem CID86614898
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate
SMILESCC(=O)O[C@H]1CCN(CCF)C1
InChIInChI=1S/C8H14FNO2/c1-7(11)12-8-2-4-10(6-8)5-3-9/h8H,2-6H2,1H3/t8-/m0/s1
InChIKeyVPVNVRKPLVBZHD-QMMMGPOBSA-N
XLogP0.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate (CID 86614898) is [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate is CC(=O)O[C@H]1CCN(CCF)C1.
What is the InChIKey of [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate?
The InChIKey is VPVNVRKPLVBZHD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-7(11)12-8-2-4-10(6-8)5-3-9/h8H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate?
[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate has a molecular weight of 175.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 86614898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).