(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

C11H12FNO2 — CID 42259681

IUPAC(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](CO)CN1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyQWSOFTSQOBDPDU-MRVPVSSYSA-N
MW209.22 g/mol
LogP1.17
Rot. Bonds2

About (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one

(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 42259681) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID42259681
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](CO)CN1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2/t8-/m1/s1
InChIKeyQWSOFTSQOBDPDU-MRVPVSSYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
S-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668249
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663927
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 40805232
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805226
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one (CID 42259681) is (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is O=C1C[C@@H](CO)CN1c1ccc(F)cc1.
What is the InChIKey of (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is QWSOFTSQOBDPDU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2/t8-/m1/s1.
What are the key properties of (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one?
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 42259681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).