4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine

C10H20FNO — CID 163514846

IUPAC4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine
SMILESCCOC1CN(C)C(C(C)C)C1F
InChIInChI=1S/C10H20FNO/c1-5-13-8-6-12(4)10(7(2)3)9(8)11/h7-10H,5-6H2,1-4H3
InChIKeyWBONCXWSNCQAMZ-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.70
Rot. Bonds3

About 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine

4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine (PubChem CID 163514846) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine
PubChem CID163514846
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine
SMILESCCOC1CN(C)C(C(C)C)C1F
InChIInChI=1S/C10H20FNO/c1-5-13-8-6-12(4)10(7(2)3)9(8)11/h7-10H,5-6H2,1-4H3
InChIKeyWBONCXWSNCQAMZ-UHFFFAOYSA-N
XLogP1.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 4199499
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CID 68089705
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CID 89094451
CID 129108293
CID 129108293
CID 129229279
CID 129229279
CID 138601807
CID 138601807
CID 139476962
CID 139476962
CID 146435756
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CID 146518179
CID 146518179
CID 146518810
CID 146518810

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine (CID 163514846) is 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine is CCOC1CN(C)C(C(C)C)C1F.
What is the InChIKey of 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
The InChIKey is WBONCXWSNCQAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-5-13-8-6-12(4)10(7(2)3)9(8)11/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine?
4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-1-methyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 163514846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).