1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid

C8H11F2NO4 — CID 74383201

IUPAC1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CN(CC(F)F)CC1C(=O)O
InChIInChI=1S/C8H11F2NO4/c9-6(10)3-11-1-4(7(12)13)5(2-11)8(14)15/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyRUESXRXDNLNITM-UHFFFAOYSA-N
MW223.17 g/mol
LogP-0.03
Rot. Bonds4

About 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid

1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid (PubChem CID 74383201) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
PubChem CID74383201
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CN(CC(F)F)CC1C(=O)O
InChIInChI=1S/C8H11F2NO4/c9-6(10)3-11-1-4(7(12)13)5(2-11)8(14)15/h4-6H,1-3H2,(H,12,13)(H,14,15)
InChIKeyRUESXRXDNLNITM-UHFFFAOYSA-N
XLogP-0.03
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid (CID 74383201) is 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid is O=C(O)C1CN(CC(F)F)CC1C(=O)O.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid?
The InChIKey is RUESXRXDNLNITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO4/c9-6(10)3-11-1-4(7(12)13)5(2-11)8(14)15/h4-6H,1-3H2,(H,12,13)(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid?
1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid has a molecular weight of 223.17 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 74383201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).