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

C12H14FNO2 — CID 42259422

IUPAC(4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CO)CN1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2/t10-/m0/s1
InChIKeyJBXKWPWEZMUSBG-JTQLQIEISA-N
MW223.25 g/mol
LogP1.17
Rot. Bonds3

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

(4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 42259422) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID42259422
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CO)CN1Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2/t10-/m0/s1
InChIKeyJBXKWPWEZMUSBG-JTQLQIEISA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 42259422) is (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is O=C1C[C@H](CO)CN1Cc1ccc(F)cc1.
What is the InChIKey of (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is JBXKWPWEZMUSBG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2/t10-/m0/s1.
What are the key properties of (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one?
(4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 42259422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).