3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate

C6H5FNO2- — CID 171600665

IUPAC3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate
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)/p-1
InChIKeyGKPSFBBRZZZSJD-UHFFFAOYSA-M
MW142.11 g/mol
LogP-0.79
Rot. Bonds1

About 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate

3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate (PubChem CID 171600665) has the molecular formula C6H5FNO2- and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Name3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate
PubChem CID171600665
Molecular FormulaC6H5FNO2-
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate
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)/p-1
InChIKeyGKPSFBBRZZZSJD-UHFFFAOYSA-M
XLogP-0.79
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate 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-Amino-4-fluorocyclohexa-1,3-diene-1-carboxylate
CID 168090596
3-Amino-4-fluorocyclopenta-1,3-diene-1-carboxylic acid
CID 171600666
3-Aminocyclopenta-1,3-diene-1-carboxylic acid
CID 162052952
3-Aminocyclopenta-1,3-diene-1-carboxylate
CID 162459452

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate (CID 171600665) is 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate is NC1=C(F)CC(C(=O)[O-])=C1.
What is the InChIKey of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate?
The InChIKey is GKPSFBBRZZZSJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6FNO2/c7-4-1-3(6(9)10)2-5(4)8/h2H,1,8H2,(H,9,10)/p-1.
What are the key properties of 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate?
3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate has a molecular weight of 142.11 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorocyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 171600665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).