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

C6H5F2N2+ — CID 163830341

IUPAC(3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
SMILES[H]/N=C1\C=C(F)C(F)=CC1=[NH2+]
InChIInChI=1S/C6H4F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H/p+1/b9-5+,10-6?
InChIKeyODDMXWPSFCZJGL-IIWBTEQSSA-O
MW143.12 g/mol
LogP-0.07
Rot. Bonds

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

(3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium (PubChem CID 163830341) has the molecular formula C6H5F2N2+ and a molecular weight of 143.12 g/mol. Its IUPAC name is (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium.

Molecular Properties

Compound Name(3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
PubChem CID163830341
Molecular FormulaC6H5F2N2+
Molecular Weight143.12 g/mol
Exact Mass143.04
IUPAC Name(3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
SMILES[H]/N=C1\C=C(F)C(F)=CC1=[NH2+]
InChIInChI=1S/C6H4F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H/p+1/b9-5+,10-6?
InChIKeyODDMXWPSFCZJGL-IIWBTEQSSA-O
XLogP-0.07
TPSA49.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (3,4-difluoro-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 (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The IUPAC name of (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium (CID 163830341) is (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium.
What is the SMILES notation for (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The canonical SMILES for (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium is [H]/N=C1\C=C(F)C(F)=CC1=[NH2+].
What is the InChIKey of (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
The InChIKey is ODDMXWPSFCZJGL-IIWBTEQSSA-O. The full InChI is InChI=1S/C6H4F2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H/p+1/b9-5+,10-6?.
What are the key properties of (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium?
(3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium has a molecular weight of 143.12 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluoro-6-iminocyclohexa-2,4-dien-1-ylidene)azanium is sourced from PubChem (CID 163830341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).