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

C7H5F3N2O2S — CID 19324214

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate
SMILESN/C(=N\OC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)6(13)14-12-5(11)4-2-1-3-15-4/h1-3H,(H2,11,12)
InChIKeyYPEMTNXUVNSCIF-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.47
Rot. Bonds2

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

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate (PubChem CID 19324214) has the molecular formula C7H5F3N2O2S and a molecular weight of 238.19 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate
PubChem CID19324214
Molecular FormulaC7H5F3N2O2S
Molecular Weight238.19 g/mol
Exact Mass238.00
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate
SMILESN/C(=N\OC(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3N2O2S/c8-7(9,10)6(13)14-12-5(11)4-2-1-3-15-4/h1-3H,(H2,11,12)
InChIKeyYPEMTNXUVNSCIF-UHFFFAOYSA-N
XLogP1.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.47
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'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate (CID 19324214) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate is N/C(=N\OC(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate?
The InChIKey is YPEMTNXUVNSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2S/c8-7(9,10)6(13)14-12-5(11)4-2-1-3-15-4/h1-3H,(H2,11,12).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2,2,2-trifluoroacetate has a molecular weight of 238.19 g/mol, XLogP of 1.47, 2 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] 2,2,2-trifluoroacetate is sourced from PubChem (CID 19324214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).