2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid

C6H9F2NO3 — CID 134533911

IUPAC2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1CNCC1(F)F
InChIInChI=1S/C6H9F2NO3/c7-6(8)3-9-1-4(6)12-2-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyFDVPOWAHJXCATC-UHFFFAOYSA-N
MW181.14 g/mol
LogP-0.31
Rot. Bonds3

About 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid

2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid (PubChem CID 134533911) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid
PubChem CID134533911
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Name2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid
SMILESO=C(O)COC1CNCC1(F)F
InChIInChI=1S/C6H9F2NO3/c7-6(8)3-9-1-4(6)12-2-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyFDVPOWAHJXCATC-UHFFFAOYSA-N
XLogP-0.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid (CID 134533911) is 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid is O=C(O)COC1CNCC1(F)F.
What is the InChIKey of 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid?
The InChIKey is FDVPOWAHJXCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c7-6(8)3-9-1-4(6)12-2-5(10)11/h4,9H,1-3H2,(H,10,11).
What are the key properties of 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid?
2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid has a molecular weight of 181.14 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropyrrolidin-3-yl)oxyacetic acid is sourced from PubChem (CID 134533911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).