(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one

C11H11F2NO3 — CID 174539021

IUPAC(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1c(F)cc([C@@H]2CNC(=O)C2)c(F)c1O
InChIInChI=1S/C11H11F2NO3/c1-17-11-7(12)3-6(9(13)10(11)16)5-2-8(15)14-4-5/h3,5,16H,2,4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyVPMDPBPGVNNTAT-YFKPBYRVSA-N
MW243.21 g/mol
LogP1.28
Rot. Bonds2

About (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one

(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 174539021) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID174539021
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1c(F)cc([C@@H]2CNC(=O)C2)c(F)c1O
InChIInChI=1S/C11H11F2NO3/c1-17-11-7(12)3-6(9(13)10(11)16)5-2-8(15)14-4-5/h3,5,16H,2,4H2,1H3,(H,14,15)/t5-/m0/s1
InChIKeyVPMDPBPGVNNTAT-YFKPBYRVSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one (CID 174539021) is (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one is COc1c(F)cc([C@@H]2CNC(=O)C2)c(F)c1O.
What is the InChIKey of (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VPMDPBPGVNNTAT-YFKPBYRVSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-17-11-7(12)3-6(9(13)10(11)16)5-2-8(15)14-4-5/h3,5,16H,2,4H2,1H3,(H,14,15)/t5-/m0/s1.
What are the key properties of (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one?
(4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 243.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,5-difluoro-3-hydroxy-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 174539021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).