2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid

C9H15F2NO3 — CID 139341661

IUPAC2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid
SMILESCCN1CC(COCC(=O)O)C(F)(F)C1
InChIInChI=1S/C9H15F2NO3/c1-2-12-3-7(9(10,11)6-12)4-15-5-8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyJCYZKZVJAAHSMC-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.67
Rot. Bonds5

About 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid

2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 139341661) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid
PubChem CID139341661
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid
SMILESCCN1CC(COCC(=O)O)C(F)(F)C1
InChIInChI=1S/C9H15F2NO3/c1-2-12-3-7(9(10,11)6-12)4-15-5-8(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeyJCYZKZVJAAHSMC-UHFFFAOYSA-N
XLogP0.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid (CID 139341661) is 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid is CCN1CC(COCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is JCYZKZVJAAHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-2-12-3-7(9(10,11)6-12)4-15-5-8(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid?
2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 223.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-4,4-difluoropyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 139341661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).