2-fluoro-5-pyrrolidin-2-ylbenzoic acid

C11H12FNO2 — CID 77131521

IUPAC2-fluoro-5-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCN2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15)
InChIKeyOJGADJBUAPZSGD-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.95
Rot. Bonds2

About 2-fluoro-5-pyrrolidin-2-ylbenzoic acid

2-fluoro-5-pyrrolidin-2-ylbenzoic acid (PubChem CID 77131521) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-fluoro-5-pyrrolidin-2-ylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-pyrrolidin-2-ylbenzoic acid
PubChem CID77131521
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-fluoro-5-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1cc(C2CCCN2)ccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15)
InChIKeyOJGADJBUAPZSGD-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920
(E)-3-[2-fluoro-5-[(2R)-pyrrolidin-2-yl]phenyl]prop-2-enoic acid
CID 66519332
2-(3-ethyl-4-fluorophenyl)pyrrolidine
CID 117284037
(2R)-2-[3-(difluoromethyl)-4-fluorophenyl]pyrrolidine
CID 66518805
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
4-fluoro-2-pyrrolidin-2-ylbenzoic acid
CID 66690944
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-(3-ethenyl-4-fluorophenyl)pyrrolidine
CID 172576187
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717
5-[(2S)-azetidin-2-yl]-2-methylbenzoic acid
CID 131057016

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pyrrolidin-2-ylbenzoic acid?
The IUPAC name of 2-fluoro-5-pyrrolidin-2-ylbenzoic acid (CID 77131521) is 2-fluoro-5-pyrrolidin-2-ylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-pyrrolidin-2-ylbenzoic acid?
The canonical SMILES for 2-fluoro-5-pyrrolidin-2-ylbenzoic acid is O=C(O)c1cc(C2CCCN2)ccc1F.
What is the InChIKey of 2-fluoro-5-pyrrolidin-2-ylbenzoic acid?
The InChIKey is OJGADJBUAPZSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15).
What are the key properties of 2-fluoro-5-pyrrolidin-2-ylbenzoic acid?
2-fluoro-5-pyrrolidin-2-ylbenzoic acid has a molecular weight of 209.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pyrrolidin-2-ylbenzoic acid is sourced from PubChem (CID 77131521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).