3-fluoro-1-phenylpyrrolidin-2-one

C10H10FNO — CID 157010734

IUPAC3-fluoro-1-phenylpyrrolidin-2-one
SMILESO=C1C(F)CCN1c1ccccc1
InChIInChI=1S/C10H10FNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyYWUPTIYIUQPNPF-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.76
Rot. Bonds1

About 3-fluoro-1-phenylpyrrolidin-2-one

3-fluoro-1-phenylpyrrolidin-2-one (PubChem CID 157010734) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-fluoro-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1-phenylpyrrolidin-2-one
PubChem CID157010734
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-fluoro-1-phenylpyrrolidin-2-one
SMILESO=C1C(F)CCN1c1ccccc1
InChIInChI=1S/C10H10FNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyYWUPTIYIUQPNPF-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-amino-1-phenylazepan-2-one
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(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
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(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]-1-phenylpyrrolidin-2-one
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3-[2-hydroxyethyl(methyl)amino]-1-phenylpyrrolidin-2-one
CID 111544278
3-(methylamino)-1-phenylazepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-1-phenylpyrrolidin-2-one (CID 157010734) is 3-fluoro-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1-phenylpyrrolidin-2-one is O=C1C(F)CCN1c1ccccc1.
What is the InChIKey of 3-fluoro-1-phenylpyrrolidin-2-one?
The InChIKey is YWUPTIYIUQPNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-fluoro-1-phenylpyrrolidin-2-one?
3-fluoro-1-phenylpyrrolidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 157010734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).