1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid

C11H11F2NO2 — CID 82538014

IUPAC1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h3-4,6,10H,1-2,5H2,(H,15,16)
InChIKeyDJAAIZNJZFQLPY-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.02
Rot. Bonds2

About 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid

1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 82538014) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID82538014
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc(F)cc1F
InChIInChI=1S/C11H11F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h3-4,6,10H,1-2,5H2,(H,15,16)
InChIKeyDJAAIZNJZFQLPY-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
(2R)-1-(3,4-diamino-2-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 170309100
(2R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 42260924
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
1-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 19624574

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid (CID 82538014) is 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DJAAIZNJZFQLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-3-4-9(8(13)6-7)14-5-1-2-10(14)11(15)16/h3-4,6,10H,1-2,5H2,(H,15,16).
What are the key properties of 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid?
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.21 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82538014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).