2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid

C12H14FNO3 — CID 82736541

IUPAC2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid
SMILESCC1OCCC1Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-7-9(5-6-17-7)14-10-4-2-3-8(13)11(10)12(15)16/h2-4,7,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyRSVXHEACOKKKCP-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.11
Rot. Bonds3

About 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid

2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid (PubChem CID 82736541) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid
PubChem CID82736541
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid
SMILESCC1OCCC1Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C12H14FNO3/c1-7-9(5-6-17-7)14-10-4-2-3-8(13)11(10)12(15)16/h2-4,7,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyRSVXHEACOKKKCP-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid (CID 82736541) is 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid is CC1OCCC1Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid?
The InChIKey is RSVXHEACOKKKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-7-9(5-6-17-7)14-10-4-2-3-8(13)11(10)12(15)16/h2-4,7,9,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid?
2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid has a molecular weight of 239.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-methyloxolan-3-yl)amino]benzoic acid is sourced from PubChem (CID 82736541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).