3-fluoropyrrolidin-2-one

C4H6FNO — CID 10011854

IUPAC3-fluoropyrrolidin-2-one
SMILESO=C1NCCC1F
InChIInChI=1S/C4H6FNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChIKeyOPUUXPIAXCZUOB-UHFFFAOYSA-N
MW103.10 g/mol
LogP-0.16
Rot. Bonds

About 3-fluoropyrrolidin-2-one

3-fluoropyrrolidin-2-one (PubChem CID 10011854) has the molecular formula C4H6FNO and a molecular weight of 103.10 g/mol. Its IUPAC name is 3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoropyrrolidin-2-one
PubChem CID10011854
Molecular FormulaC4H6FNO
Molecular Weight103.10 g/mol
Exact Mass103.04
IUPAC Name3-fluoropyrrolidin-2-one
SMILESO=C1NCCC1F
InChIInChI=1S/C4H6FNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7)
InChIKeyOPUUXPIAXCZUOB-UHFFFAOYSA-N
XLogP-0.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.10
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropyrrolidin-2-one?
The IUPAC name of 3-fluoropyrrolidin-2-one (CID 10011854) is 3-fluoropyrrolidin-2-one.
What is the SMILES notation for 3-fluoropyrrolidin-2-one?
The canonical SMILES for 3-fluoropyrrolidin-2-one is O=C1NCCC1F.
What is the InChIKey of 3-fluoropyrrolidin-2-one?
The InChIKey is OPUUXPIAXCZUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7).
What are the key properties of 3-fluoropyrrolidin-2-one?
3-fluoropyrrolidin-2-one has a molecular weight of 103.10 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidin-2-one is sourced from PubChem (CID 10011854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).