(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane

C9H20FNO — CID 168996092

IUPAC(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane
SMILESCCOC.C[C@@H]1C(F)CCN1C
InChIInChI=1S/C6H12FN.C3H8O/c1-5-6(7)3-4-8(5)2;1-3-4-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3/t5-,6?;/m1./s1
InChIKeyJSXRYAIIJKBJHA-VQALBSKCSA-N
MW177.26 g/mol
LogP1.70
Rot. Bonds1

About (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane

(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane (PubChem CID 168996092) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane.

Molecular Properties

Compound Name(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane
PubChem CID168996092
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane
SMILESCCOC.C[C@@H]1C(F)CCN1C
InChIInChI=1S/C6H12FN.C3H8O/c1-5-6(7)3-4-8(5)2;1-3-4-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3/t5-,6?;/m1./s1
InChIKeyJSXRYAIIJKBJHA-VQALBSKCSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane?
The IUPAC name of (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane (CID 168996092) is (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane.
What is the SMILES notation for (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane?
The canonical SMILES for (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane is CCOC.C[C@@H]1C(F)CCN1C.
What is the InChIKey of (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane?
The InChIKey is JSXRYAIIJKBJHA-VQALBSKCSA-N. The full InChI is InChI=1S/C6H12FN.C3H8O/c1-5-6(7)3-4-8(5)2;1-3-4-2/h5-6H,3-4H2,1-2H3;3H2,1-2H3/t5-,6?;/m1./s1.
What are the key properties of (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane?
(2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane has a molecular weight of 177.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-1,2-dimethylpyrrolidine;methoxyethane is sourced from PubChem (CID 168996092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).