(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one

C5H7F2NO2 — CID 59556931

IUPAC(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H7F2NO2/c1-2-3(9)5(6,7)4(10)8-2/h2-3,9H,1H3,(H,8,10)/t2-,3+/m0/s1
InChIKeyACSTYJFWLDDVGJ-STHAYSLISA-N
MW151.11 g/mol
LogP-0.50
Rot. Bonds

About (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one

(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one (PubChem CID 59556931) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one
PubChem CID59556931
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C(F)(F)[C@@H]1O
InChIInChI=1S/C5H7F2NO2/c1-2-3(9)5(6,7)4(10)8-2/h2-3,9H,1H3,(H,8,10)/t2-,3+/m0/s1
InChIKeyACSTYJFWLDDVGJ-STHAYSLISA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one (CID 59556931) is (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one is C[C@@H]1NC(=O)C(F)(F)[C@@H]1O.
What is the InChIKey of (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one?
The InChIKey is ACSTYJFWLDDVGJ-STHAYSLISA-N. The full InChI is InChI=1S/C5H7F2NO2/c1-2-3(9)5(6,7)4(10)8-2/h2-3,9H,1H3,(H,8,10)/t2-,3+/m0/s1.
What are the key properties of (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one?
(4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one has a molecular weight of 151.11 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3,3-difluoro-4-hydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 59556931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).