(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium

C6H7FN3+ — CID 163519120

IUPAC(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
SMILES[H]/N=C1\C=C(N)C(F)=CC1=[NH2+]
InChIInChI=1S/C6H6FN3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H,8H2/p+1/b9-5?,10-6+
InChIKeyDJGDCDGPTFTXHE-HYAZYBELSA-O
MW140.14 g/mol
LogP-1.08
Rot. Bonds

About (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium

(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium (PubChem CID 163519120) has the molecular formula C6H7FN3+ and a molecular weight of 140.14 g/mol. Its IUPAC name is (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium.

Molecular Properties

Compound Name(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
PubChem CID163519120
Molecular FormulaC6H7FN3+
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
SMILES[H]/N=C1\C=C(N)C(F)=CC1=[NH2+]
InChIInChI=1S/C6H6FN3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H,8H2/p+1/b9-5?,10-6+
InChIKeyDJGDCDGPTFTXHE-HYAZYBELSA-O
XLogP-1.08
TPSA75.46 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium 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 (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The IUPAC name of (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium (CID 163519120) is (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium.
What is the SMILES notation for (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The canonical SMILES for (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium is [H]/N=C1\C=C(N)C(F)=CC1=[NH2+].
What is the InChIKey of (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The InChIKey is DJGDCDGPTFTXHE-HYAZYBELSA-O. The full InChI is InChI=1S/C6H6FN3/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H,8H2/p+1/b9-5?,10-6+.
What are the key properties of (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
(4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium has a molecular weight of 140.14 g/mol, XLogP of -1.08, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium is sourced from PubChem (CID 163519120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).