1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one

C12H14FNO2 — CID 137480543

IUPAC1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)C(CF)CN1Cc1ccccc1
InChIInChI=1S/C12H14FNO2/c13-6-10-8-14(12(16)11(10)15)7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2
InChIKeyCHCABJRPVHKXTA-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.98
Rot. Bonds3

About 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one

1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one (PubChem CID 137480543) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
PubChem CID137480543
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)C(CF)CN1Cc1ccccc1
InChIInChI=1S/C12H14FNO2/c13-6-10-8-14(12(16)11(10)15)7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2
InChIKeyCHCABJRPVHKXTA-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one (CID 137480543) is 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one is O=C1C(O)C(CF)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is CHCABJRPVHKXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-6-10-8-14(12(16)11(10)15)7-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2.
What are the key properties of 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one?
1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(fluoromethyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 137480543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).