(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine

C9H17F2NO2 — CID 141392275

IUPAC(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine
SMILESCCOC(C)OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO2/c1-3-13-7(2)14-5-8-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyBMJGTZGQJCVCLC-BRFYHDHCSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine

(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine (PubChem CID 141392275) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine
PubChem CID141392275
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine
SMILESCCOC(C)OC[C@H]1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO2/c1-3-13-7(2)14-5-8-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyBMJGTZGQJCVCLC-BRFYHDHCSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
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 (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine?
The IUPAC name of (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine (CID 141392275) is (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine.
What is the SMILES notation for (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine?
The canonical SMILES for (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine is CCOC(C)OC[C@H]1CC(F)(F)CN1.
What is the InChIKey of (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine?
The InChIKey is BMJGTZGQJCVCLC-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-3-13-7(2)14-5-8-4-9(10,11)6-12-8/h7-8,12H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine?
(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine has a molecular weight of 209.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine is sourced from PubChem (CID 141392275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).