4-fluoro-2-pyrrolidin-2-ylbenzoic acid

C11H12FNO2 — CID 66690944

IUPAC4-fluoro-2-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCCN1
InChIInChI=1S/C11H12FNO2/c12-7-3-4-8(11(14)15)9(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15)
InChIKeyTVIAPIDLKFACFU-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.95
Rot. Bonds2

About 4-fluoro-2-pyrrolidin-2-ylbenzoic acid

4-fluoro-2-pyrrolidin-2-ylbenzoic acid (PubChem CID 66690944) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-fluoro-2-pyrrolidin-2-ylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-pyrrolidin-2-ylbenzoic acid
PubChem CID66690944
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-fluoro-2-pyrrolidin-2-ylbenzoic acid
SMILESO=C(O)c1ccc(F)cc1C1CCCN1
InChIInChI=1S/C11H12FNO2/c12-7-3-4-8(11(14)15)9(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15)
InChIKeyTVIAPIDLKFACFU-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-(azetidin-2-yl)-4-fluorobenzoic acid
CID 55297261
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2,3-difluoro-4-piperidin-2-ylbenzoic acid
CID 117354547
CID 174947937
CID 174947937
[4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenyl]methanol
CID 68912942
3-pyrrolidin-2-ylpyridine-4-carboxylic acid
CID 55295568
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
3-fluoro-4-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 66519532
1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
CID 117374397
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
CID 171195941

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-pyrrolidin-2-ylbenzoic acid?
The IUPAC name of 4-fluoro-2-pyrrolidin-2-ylbenzoic acid (CID 66690944) is 4-fluoro-2-pyrrolidin-2-ylbenzoic acid.
What is the SMILES notation for 4-fluoro-2-pyrrolidin-2-ylbenzoic acid?
The canonical SMILES for 4-fluoro-2-pyrrolidin-2-ylbenzoic acid is O=C(O)c1ccc(F)cc1C1CCCN1.
What is the InChIKey of 4-fluoro-2-pyrrolidin-2-ylbenzoic acid?
The InChIKey is TVIAPIDLKFACFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-7-3-4-8(11(14)15)9(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2,(H,14,15).
What are the key properties of 4-fluoro-2-pyrrolidin-2-ylbenzoic acid?
4-fluoro-2-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 4-fluoro-2-pyrrolidin-2-ylbenzoic acid is sourced from PubChem (CID 66690944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).