methyl 2-(4-fluoropyrrolidin-2-yl)acetate

C7H12FNO2 — CID 77442892

IUPACmethyl 2-(4-fluoropyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CC(F)CN1
InChIInChI=1S/C7H12FNO2/c1-11-7(10)3-6-2-5(8)4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyPVAOOWJPDIDODO-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds2

About methyl 2-(4-fluoropyrrolidin-2-yl)acetate

methyl 2-(4-fluoropyrrolidin-2-yl)acetate (PubChem CID 77442892) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is methyl 2-(4-fluoropyrrolidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoropyrrolidin-2-yl)acetate
PubChem CID77442892
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Namemethyl 2-(4-fluoropyrrolidin-2-yl)acetate
SMILESCOC(=O)CC1CC(F)CN1
InChIInChI=1S/C7H12FNO2/c1-11-7(10)3-6-2-5(8)4-9-6/h5-6,9H,2-4H2,1H3
InChIKeyPVAOOWJPDIDODO-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-fluoropyrrolidin-2-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 methyl 2-(4-fluoropyrrolidin-2-yl)acetate?
The IUPAC name of methyl 2-(4-fluoropyrrolidin-2-yl)acetate (CID 77442892) is methyl 2-(4-fluoropyrrolidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-fluoropyrrolidin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-fluoropyrrolidin-2-yl)acetate is COC(=O)CC1CC(F)CN1.
What is the InChIKey of methyl 2-(4-fluoropyrrolidin-2-yl)acetate?
The InChIKey is PVAOOWJPDIDODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-11-7(10)3-6-2-5(8)4-9-6/h5-6,9H,2-4H2,1H3.
What are the key properties of methyl 2-(4-fluoropyrrolidin-2-yl)acetate?
methyl 2-(4-fluoropyrrolidin-2-yl)acetate has a molecular weight of 161.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoropyrrolidin-2-yl)acetate is sourced from PubChem (CID 77442892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).