1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one

C17H16FNO2 — CID 166365391

IUPAC1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2/c18-16-4-2-1-3-15(16)13-5-7-14(8-6-13)19-10-12(11-20)9-17(19)21/h1-8,12,20H,9-11H2
InChIKeyUQQZIHMBHGMBIV-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 166365391) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID166365391
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C17H16FNO2/c18-16-4-2-1-3-15(16)13-5-7-14(8-6-13)19-10-12(11-20)9-17(19)21/h1-8,12,20H,9-11H2
InChIKeyUQQZIHMBHGMBIV-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-[5-(2-fluorophenyl)-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 141116621
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-[4-(1H-indol-7-yl)phenyl]pyrrolidin-2-one
CID 166365441
1-[4-(1-benzofuran-7-yl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365393
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
4-(hydroxymethyl)-1-(6-phenyl-3-pyridinyl)pyrrolidin-2-one
CID 168663596
4-(hydroxymethyl)-1-[4-[2-(hydroxymethyl)-4-methoxyphenyl]phenyl]pyrrolidin-2-one
CID 136553196
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 166365391) is 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is UQQZIHMBHGMBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-16-4-2-1-3-15(16)13-5-7-14(8-6-13)19-10-12(11-20)9-17(19)21/h1-8,12,20H,9-11H2.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 166365391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).