3-(2-fluoroethyl)pyrrolidin-2-one

C6H10FNO — CID 67256099

IUPAC3-(2-fluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCF
InChIInChI=1S/C6H10FNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)
InChIKeyZCMDZLNWXLUOAR-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.48
Rot. Bonds2

About 3-(2-fluoroethyl)pyrrolidin-2-one

3-(2-fluoroethyl)pyrrolidin-2-one (PubChem CID 67256099) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(2-fluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-fluoroethyl)pyrrolidin-2-one
PubChem CID67256099
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-(2-fluoroethyl)pyrrolidin-2-one
SMILESO=C1NCCC1CCF
InChIInChI=1S/C6H10FNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9)
InChIKeyZCMDZLNWXLUOAR-UHFFFAOYSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(2-fluoroethyl)pyrrolidin-2-one (CID 67256099) is 3-(2-fluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-fluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(2-fluoroethyl)pyrrolidin-2-one is O=C1NCCC1CCF.
What is the InChIKey of 3-(2-fluoroethyl)pyrrolidin-2-one?
The InChIKey is ZCMDZLNWXLUOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-3-1-5-2-4-8-6(5)9/h5H,1-4H2,(H,8,9).
What are the key properties of 3-(2-fluoroethyl)pyrrolidin-2-one?
3-(2-fluoroethyl)pyrrolidin-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67256099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).