[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate

C7H6F2N2O2S — CID 19324213

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate
SMILESN/C(=N\OC(=O)C(F)F)c1cccs1
InChIInChI=1S/C7H6F2N2O2S/c8-5(9)7(12)13-11-6(10)4-2-1-3-14-4/h1-3,5H,(H2,10,11)
InChIKeySJTJMLOIOCNVPC-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.18
Rot. Bonds3

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate (PubChem CID 19324213) has the molecular formula C7H6F2N2O2S and a molecular weight of 220.20 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate
PubChem CID19324213
Molecular FormulaC7H6F2N2O2S
Molecular Weight220.20 g/mol
Exact Mass220.01
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate
SMILESN/C(=N\OC(=O)C(F)F)c1cccs1
InChIInChI=1S/C7H6F2N2O2S/c8-5(9)7(12)13-11-6(10)4-2-1-3-14-4/h1-3,5H,(H2,10,11)
InChIKeySJTJMLOIOCNVPC-UHFFFAOYSA-N
XLogP1.18
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate 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 [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate (CID 19324213) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate is N/C(=N\OC(=O)C(F)F)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate?
The InChIKey is SJTJMLOIOCNVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2S/c8-5(9)7(12)13-11-6(10)4-2-1-3-14-4/h1-3,5H,(H2,10,11).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate has a molecular weight of 220.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2-difluoroacetate is sourced from PubChem (CID 19324213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).