2-fluoropyrrolidine-1,2-dicarboxylic acid

C6H8FNO4 — CID 69306748

IUPAC2-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1CCCC1(F)C(=O)O
InChIInChI=1S/C6H8FNO4/c7-6(4(9)10)2-1-3-8(6)5(11)12/h1-3H2,(H,9,10)(H,11,12)
InChIKeyOQKVQOSHFWUYKS-UHFFFAOYSA-N
MW177.13 g/mol
LogP0.51
Rot. Bonds1

About 2-fluoropyrrolidine-1,2-dicarboxylic acid

2-fluoropyrrolidine-1,2-dicarboxylic acid (PubChem CID 69306748) has the molecular formula C6H8FNO4 and a molecular weight of 177.13 g/mol. Its IUPAC name is 2-fluoropyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name2-fluoropyrrolidine-1,2-dicarboxylic acid
PubChem CID69306748
Molecular FormulaC6H8FNO4
Molecular Weight177.13 g/mol
Exact Mass177.04
IUPAC Name2-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)N1CCCC1(F)C(=O)O
InChIInChI=1S/C6H8FNO4/c7-6(4(9)10)2-1-3-8(6)5(11)12/h1-3H2,(H,9,10)(H,11,12)
InChIKeyOQKVQOSHFWUYKS-UHFFFAOYSA-N
XLogP0.51
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
(2S)-2-formylpyrrolidine-1,2-dicarboxylic acid
CID 166692014
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
3,3-difluoro-1,8-diazaspiro[3.5]nonane-1,8-dicarboxylic acid
CID 123427706
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
CID 57420331
(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
CID 68708136
(2S)-2-formyl-2-methylpyrrolidine-1-carboxylic acid
CID 87642357
(2R)-1-carbamimidoyl-2-hydroxypyrrolidine-2-carboxylic acid
CID 139754634
2-(bromomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 172844672
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
(2S)-1-acetyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 166000459
(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
CID 134539674

Frequently Asked Questions

What is the IUPAC name of 2-fluoropyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 2-fluoropyrrolidine-1,2-dicarboxylic acid (CID 69306748) is 2-fluoropyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 2-fluoropyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 2-fluoropyrrolidine-1,2-dicarboxylic acid is O=C(O)N1CCCC1(F)C(=O)O.
What is the InChIKey of 2-fluoropyrrolidine-1,2-dicarboxylic acid?
The InChIKey is OQKVQOSHFWUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO4/c7-6(4(9)10)2-1-3-8(6)5(11)12/h1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-fluoropyrrolidine-1,2-dicarboxylic acid?
2-fluoropyrrolidine-1,2-dicarboxylic acid has a molecular weight of 177.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 69306748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).