[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite

C8H4ClFN2O — CID 89267275

IUPAC[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
SMILESN#Cc1ccc(/C=N/OCl)c(F)c1
InChIInChI=1S/C8H4ClFN2O/c9-13-12-5-7-2-1-6(4-11)3-8(7)10/h1-3,5H/b12-5+
InChIKeyLEGMOFCEQCLGNZ-LFYBBSHMSA-N
MW198.58 g/mol
LogP2.20
Rot. Bonds2

About [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite

[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite (PubChem CID 89267275) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite.

Molecular Properties

Compound Name[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
PubChem CID89267275
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite
SMILESN#Cc1ccc(/C=N/OCl)c(F)c1
InChIInChI=1S/C8H4ClFN2O/c9-13-12-5-7-2-1-6(4-11)3-8(7)10/h1-3,5H/b12-5+
InChIKeyLEGMOFCEQCLGNZ-LFYBBSHMSA-N
XLogP2.20
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2-chloro-4-cyanophenyl)methylideneamino] hypochlorite
CID 141112966
4-[(E)-2-bromoethenyl]-3-fluorobenzonitrile
CID 165471193
3-fluoro-4-[(1E,3E)-4-hydroxybuta-1,3-dienyl]benzonitrile
CID 21336692
3-fluoro-4-nitrosobenzonitrile
CID 88884017
3-fluoro-4-iodobenzonitrile
CID 24721521
(E)-2-(4-cyano-2-fluorophenyl)-N-[(E)-2-(4-cyano-2-fluorophenyl)ethenyl]sulfonylethenesulfonamide
CID 11524889
4-(5-chloro-2-formylphenoxy)-3-fluorobenzonitrile
CID 107665713
methyl 4-(4-cyano-2-fluorophenyl)but-3-enoate
CID 170500893
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-amino-3-fluorobenzonitrile;methane
CID 174516091
4-[(E)-3-chloroprop-2-enoxy]-3-fluorobenzonitrile
CID 103793506
4-(difluoromethoxymethyl)-3-fluorobenzonitrile
CID 163276095

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite?
The IUPAC name of [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite (CID 89267275) is [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite.
What is the SMILES notation for [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite?
The canonical SMILES for [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite is N#Cc1ccc(/C=N/OCl)c(F)c1.
What is the InChIKey of [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite?
The InChIKey is LEGMOFCEQCLGNZ-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-13-12-5-7-2-1-6(4-11)3-8(7)10/h1-3,5H/b12-5+.
What are the key properties of [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite?
[(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite has a molecular weight of 198.58 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-cyano-2-fluorophenyl)methylideneamino] hypochlorite is sourced from PubChem (CID 89267275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).