(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one

C6H8FNO2 — CID 170904110

IUPAC(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one
SMILESCC(=O)[C@H]1C[C@@H](F)C(=O)N1
InChIInChI=1S/C6H8FNO2/c1-3(9)5-2-4(7)6(10)8-5/h4-5H,2H2,1H3,(H,8,10)/t4-,5-/m1/s1
InChIKeyFOXHORPRZLKNJW-RFZPGFLSSA-N
MW145.13 g/mol
LogP-0.20
Rot. Bonds1

About (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one

(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one (PubChem CID 170904110) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one
PubChem CID170904110
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one
SMILESCC(=O)[C@H]1C[C@@H](F)C(=O)N1
InChIInChI=1S/C6H8FNO2/c1-3(9)5-2-4(7)6(10)8-5/h4-5H,2H2,1H3,(H,8,10)/t4-,5-/m1/s1
InChIKeyFOXHORPRZLKNJW-RFZPGFLSSA-N
XLogP-0.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate
CID 7195109
(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
(3R,6R)-6-acetyl-3,4-dimethylpiperazin-2-one
CID 59248753
(3S,6R)-6-acetyl-3-(hydroxymethyl)-4-methylpiperazin-2-one
CID 59460336
4-acetyl-7-(methylamino)-1,2,5-dithiazocan-6-one
CID 59105017
6-acetylpiperidine-2,4-dione
CID 89154967
(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 70097060
methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate
CID 70955726
methyl (2S,4S)-4-acetamido-5-oxopyrrolidine-2-carboxylate
CID 45089540
4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
CID 115013532
1-[5-(methylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]ethanone
CID 163957368
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
CID 154429079

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one?
The IUPAC name of (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one (CID 170904110) is (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one is CC(=O)[C@H]1C[C@@H](F)C(=O)N1.
What is the InChIKey of (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one?
The InChIKey is FOXHORPRZLKNJW-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H8FNO2/c1-3(9)5-2-4(7)6(10)8-5/h4-5H,2H2,1H3,(H,8,10)/t4-,5-/m1/s1.
What are the key properties of (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one?
(3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one has a molecular weight of 145.13 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-acetyl-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 170904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).