5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid

C11H11F2NO2 — CID 117326291

IUPAC5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)cccc2F)C1
InChIInChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)10(7)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyAGFIVIJPTYGYQI-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.70
Rot. Bonds2

About 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid

5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117326291) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID117326291
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2c(F)cccc2F)C1
InChIInChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)10(7)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16)
InChIKeyAGFIVIJPTYGYQI-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chloro-3,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117408913
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
5-(3-bromo-2,6-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 117491075
5-(4-carboxy-2,3,5,6-tetrafluorophenyl)pyrrolidine-3-carboxylic acid
CID 117492218
5-[2,6-difluoro-3-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117430658
5-(6-fluoro-2-methoxy-3-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117385648
5-(6-fluoro-1-benzofuran-7-yl)pyrrolidine-3-carboxylic acid
CID 117375436
5-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)pyrrolidine-3-carboxylic acid
CID 117416809
5-(2-methoxy-6-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117421837
5-(2,3,5-trifluoro-6-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117439774
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-(4-bromo-2-chloro-3,5,6-trifluorophenyl)pyrrolidine-3-carboxylic acid
CID 117117086

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid (CID 117326291) is 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2c(F)cccc2F)C1.
What is the InChIKey of 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is AGFIVIJPTYGYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)10(7)9-4-6(5-14-9)11(15)16/h1-3,6,9,14H,4-5H2,(H,15,16).
What are the key properties of 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid?
5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 227.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117326291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).