2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone

C10H16FNO2 — CID 164657956

IUPAC2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC(F)C1)C1CCOC1
InChIInChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(13)8-2-4-14-7-8/h8-9H,1-7H2
InChIKeyIZAFZEQFSOOYKQ-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.64
Rot. Bonds3

About 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone

2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 164657956) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
PubChem CID164657956
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(CN1CCC(F)C1)C1CCOC1
InChIInChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(13)8-2-4-14-7-8/h8-9H,1-7H2
InChIKeyIZAFZEQFSOOYKQ-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone (CID 164657956) is 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone is O=C(CN1CCC(F)C1)C1CCOC1.
What is the InChIKey of 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is IZAFZEQFSOOYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-9-1-3-12(5-9)6-10(13)8-2-4-14-7-8/h8-9H,1-7H2.
What are the key properties of 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone?
2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 201.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropyrrolidin-1-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 164657956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).