2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid

C8H13F2NO3 — CID 121204095

IUPAC2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOCC1CC(F)(F)CN1CC(=O)O
InChIInChI=1S/C8H13F2NO3/c1-14-4-6-2-8(9,10)5-11(6)3-7(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXEZFOJLEPNKRKS-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.43
Rot. Bonds4

About 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid

2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 121204095) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
PubChem CID121204095
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOCC1CC(F)(F)CN1CC(=O)O
InChIInChI=1S/C8H13F2NO3/c1-14-4-6-2-8(9,10)5-11(6)3-7(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyXEZFOJLEPNKRKS-UHFFFAOYSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid (CID 121204095) is 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid is COCC1CC(F)(F)CN1CC(=O)O.
What is the InChIKey of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is XEZFOJLEPNKRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-14-4-6-2-8(9,10)5-11(6)3-7(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 209.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 121204095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).