2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid

C11H10F3NO2 — CID 82363545

IUPAC2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO2/c12-7-2-1-5(8(13)9(7)14)10-6(11(16)17)3-4-15-10/h1-2,6,10,15H,3-4H2,(H,16,17)
InChIKeyFKUFYEPYEMSKQM-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid

2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 82363545) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID82363545
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCNC1c1ccc(F)c(F)c1F
InChIInChI=1S/C11H10F3NO2/c12-7-2-1-5(8(13)9(7)14)10-6(11(16)17)3-4-15-10/h1-2,6,10,15H,3-4H2,(H,16,17)
InChIKeyFKUFYEPYEMSKQM-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid (CID 82363545) is 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCNC1c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FKUFYEPYEMSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-7-2-1-5(8(13)9(7)14)10-6(11(16)17)3-4-15-10/h1-2,6,10,15H,3-4H2,(H,16,17).
What are the key properties of 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid?
2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82363545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).