ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate

C9H15F2NO3 — CID 153412188

IUPACethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate
SMILESCCOC(=O)COCC1CC(F)(F)CN1
InChIInChI=1S/C9H15F2NO3/c1-2-15-8(13)5-14-4-7-3-9(10,11)6-12-7/h7,12H,2-6H2,1H3
InChIKeyNYYUSKJIPGNUDZ-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate

ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate (PubChem CID 153412188) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate
PubChem CID153412188
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate
SMILESCCOC(=O)COCC1CC(F)(F)CN1
InChIInChI=1S/C9H15F2NO3/c1-2-15-8(13)5-14-4-7-3-9(10,11)6-12-7/h7,12H,2-6H2,1H3
InChIKeyNYYUSKJIPGNUDZ-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]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 ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate?
The IUPAC name of ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate (CID 153412188) is ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate.
What is the SMILES notation for ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate?
The canonical SMILES for ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate is CCOC(=O)COCC1CC(F)(F)CN1.
What is the InChIKey of ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate?
The InChIKey is NYYUSKJIPGNUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-2-15-8(13)5-14-4-7-3-9(10,11)6-12-7/h7,12H,2-6H2,1H3.
What are the key properties of ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate?
ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate has a molecular weight of 223.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,4-difluoropyrrolidin-2-yl)methoxy]acetate is sourced from PubChem (CID 153412188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).