[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate

C9H6ClF3N2O2 — CID 19291930

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
SMILESN/C(=N\OC(=O)C(F)(F)Cl)c1ccc(F)cc1
InChIInChI=1S/C9H6ClF3N2O2/c10-9(12,13)8(16)17-15-7(14)5-1-3-6(11)4-2-5/h1-4H,(H2,14,15)
InChIKeyYMTGIQIWQJWODX-UHFFFAOYSA-N
MW266.61 g/mol
LogP1.82
Rot. Bonds3

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate (PubChem CID 19291930) has the molecular formula C9H6ClF3N2O2 and a molecular weight of 266.61 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
PubChem CID19291930
Molecular FormulaC9H6ClF3N2O2
Molecular Weight266.61 g/mol
Exact Mass266.01
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
SMILESN/C(=N\OC(=O)C(F)(F)Cl)c1ccc(F)cc1
InChIInChI=1S/C9H6ClF3N2O2/c10-9(12,13)8(16)17-15-7(14)5-1-3-6(11)4-2-5/h1-4H,(H2,14,15)
InChIKeyYMTGIQIWQJWODX-UHFFFAOYSA-N
XLogP1.82
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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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Related Compounds

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] cyclohexanecarboxylate
CID 19292035
chloromethane;4-fluorobenzamide
CID 158476805
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate
CID 19296098
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 3-(difluoromethoxy)benzoate
CID 19291853
[[amino(pyridin-3-yl)methylidene]amino] 4-fluorobenzoate
CID 2877109
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19291796
[(Z)-[amino(phenyl)methylidene]amino] 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 19290112
2-[(Z)-[amino-(4-fluorophenyl)methylidene]amino]oxy-N-pentan-3-ylacetamide
CID 47118215

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate (CID 19291930) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate is N/C(=N\OC(=O)C(F)(F)Cl)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
The InChIKey is YMTGIQIWQJWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2O2/c10-9(12,13)8(16)17-15-7(14)5-1-3-6(11)4-2-5/h1-4H,(H2,14,15).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate has a molecular weight of 266.61 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloro-2,2-difluoroacetate is sourced from PubChem (CID 19291930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).