3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid

C6H6FNO2 — CID 171600666

IUPAC3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid
SMILESNC1=C(F)CC(C(=O)O)=C1
InChIInChI=1S/C6H6FNO2/c7-4-1-3(6(9)10)2-5(4)8/h2H,1,8H2,(H,9,10)
InChIKeyGKPSFBBRZZZSJD-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.54
Rot. Bonds1

About 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid

3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid (PubChem CID 171600666) has the molecular formula C6H6FNO2 and a molecular weight of 143.12 g/mol. Its IUPAC name is 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid
PubChem CID171600666
Molecular FormulaC6H6FNO2
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid
SMILESNC1=C(F)CC(C(=O)O)=C1
InChIInChI=1S/C6H6FNO2/c7-4-1-3(6(9)10)2-5(4)8/h2H,1,8H2,(H,9,10)
InChIKeyGKPSFBBRZZZSJD-UHFFFAOYSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic 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

3-Aminocyclohexa-1,3-diene-1-carboxylic acid
CID 20027156
3-Amino-3,4,6-trifluorocyclohexa-1,4-diene-1-carboxylic acid
CID 18364218
3-Amino-3,5,6-trifluorocyclohexa-1,4-diene-1-carboxylic acid
CID 67587067
4-Amino-4-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 67910517
(2Z,4Z)-6-amino-2-ethyl-3-fluoro-4-methylhepta-2,4,6-trienoic acid
CID 166992524
3-Amino-4-fluorocyclohexa-1,3-diene-1-carboxylate
CID 168090596
3-Amino-4-fluorocyclopenta-1,3-diene-1-carboxylate
CID 171600665
4-Amino-3,4-difluorocyclohexa-1,5-diene-1-carboxylic acid
CID 174933301
3-Amino-4-fluorocyclohexa-1,3-diene-1-carboxylic acid
CID 168090597
3-Isocyanocyclopenta-1,3-diene-1-carboxylic acid
CID 58387008
2-Aminocyclopenta-1,3-diene-1-carboxylic acid
CID 118103230
(2E,4E)-4-amino-2-ethylhexa-2,4-dienoic acid
CID 143824752

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid?
The IUPAC name of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid (CID 171600666) is 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid?
The canonical SMILES for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid is NC1=C(F)CC(C(=O)O)=C1.
What is the InChIKey of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid?
The InChIKey is GKPSFBBRZZZSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO2/c7-4-1-3(6(9)10)2-5(4)8/h2H,1,8H2,(H,9,10).
What are the key properties of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid?
3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid has a molecular weight of 143.12 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 171600666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).