2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid

C10H10FNO2 — CID 55297833

IUPAC2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
SMILESC=CC(N)c1c(F)cccc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-8(12)9-6(10(13)14)4-3-5-7(9)11/h2-5,8H,1,12H2,(H,13,14)
InChIKeyCZCDVQAZLYRXTR-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.71
Rot. Bonds3

About 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid

2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid (PubChem CID 55297833) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
PubChem CID55297833
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
SMILESC=CC(N)c1c(F)cccc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-8(12)9-6(10(13)14)4-3-5-7(9)11/h2-5,8H,1,12H2,(H,13,14)
InChIKeyCZCDVQAZLYRXTR-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,2-diaminoethyl)-3-fluorobenzoic acid
CID 55273283
2-(1-aminopropyl)-3-fluorobenzoic acid
CID 55271295
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
CID 130767258
3-fluoro-2-(fluoromethyl)benzoic acid
CID 68731679
4-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55295675
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
CID 130722314
2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-3-fluorobenzoic acid
CID 171897648
(1R)-1-(2,3-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171204130
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
3-fluoro-2-hydrazinylbenzoic acid
CID 82007573
ethane;2-fluorobenzoic acid
CID 91182768

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid?
The IUPAC name of 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid (CID 55297833) is 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid is C=CC(N)c1c(F)cccc1C(=O)O.
What is the InChIKey of 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid?
The InChIKey is CZCDVQAZLYRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-8(12)9-6(10(13)14)4-3-5-7(9)11/h2-5,8H,1,12H2,(H,13,14).
What are the key properties of 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid?
2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid is sourced from PubChem (CID 55297833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).