4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one

C7H12FNO2 — CID 144814359

IUPAC4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(F)CC1=O
InChIInChI=1S/C7H12FNO2/c1-11-3-2-9-5-6(8)4-7(9)10/h6H,2-5H2,1H3
InChIKeyJJSGSAZYTNCAGR-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.20
Rot. Bonds3

About 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one

4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 144814359) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID144814359
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(F)CC1=O
InChIInChI=1S/C7H12FNO2/c1-11-3-2-9-5-6(8)4-7(9)10/h6H,2-5H2,1H3
InChIKeyJJSGSAZYTNCAGR-UHFFFAOYSA-N
XLogP0.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one (CID 144814359) is 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(F)CC1=O.
What is the InChIKey of 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is JJSGSAZYTNCAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-11-3-2-9-5-6(8)4-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one?
4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 161.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 144814359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).