(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one

C9H15F2NO3 — CID 90054522

IUPAC(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one
SMILESCCOC(C)OC[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C9H15F2NO3/c1-3-14-6(2)15-5-7-4-9(10,11)8(13)12-7/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyICLVZMMFKWCSMR-COBSHVIPSA-N
MW223.22 g/mol
LogP0.91
Rot. Bonds5

About (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one

(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one (PubChem CID 90054522) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one
PubChem CID90054522
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one
SMILESCCOC(C)OC[C@H]1CC(F)(F)C(=O)N1
InChIInChI=1S/C9H15F2NO3/c1-3-14-6(2)15-5-7-4-9(10,11)8(13)12-7/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyICLVZMMFKWCSMR-COBSHVIPSA-N
XLogP0.91
TPSA47.56 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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one?
The IUPAC name of (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one (CID 90054522) is (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one?
The canonical SMILES for (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one is CCOC(C)OC[C@H]1CC(F)(F)C(=O)N1.
What is the InChIKey of (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one?
The InChIKey is ICLVZMMFKWCSMR-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-3-14-6(2)15-5-7-4-9(10,11)8(13)12-7/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m1/s1.
What are the key properties of (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one?
(5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one has a molecular weight of 223.22 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-ethoxyethoxymethyl)-3,3-difluoropyrrolidin-2-one is sourced from PubChem (CID 90054522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).