4-(3-fluorophenyl)pyrrolidin-2-one

C10H10FNO — CID 45358772

IUPAC4-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cccc(F)c2)CN1
InChIInChI=1S/C10H10FNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyRAATVVLZQPDIED-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.43
Rot. Bonds1

About 4-(3-fluorophenyl)pyrrolidin-2-one

4-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 45358772) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID45358772
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(c2cccc(F)c2)CN1
InChIInChI=1S/C10H10FNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)
InChIKeyRAATVVLZQPDIED-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)pyrrolidin-2-one (CID 45358772) is 4-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)pyrrolidin-2-one is O=C1CC(c2cccc(F)c2)CN1.
What is the InChIKey of 4-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is RAATVVLZQPDIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13).
What are the key properties of 4-(3-fluorophenyl)pyrrolidin-2-one?
4-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 45358772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).