(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine

C10H8Cl2FNO2 — CID 58878881

IUPAC(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)c(OCC=C(Cl)Cl)c1
InChIInChI=1S/C10H8Cl2FNO2/c11-10(12)3-4-16-9-5-7(6-14-15)1-2-8(9)13/h1-3,5-6,15H,4H2/b14-6+
InChIKeyLHVAZWXNWSBBPD-MKMNVTDBSA-N
MW264.08 g/mol
LogP3.33
Rot. Bonds4

About (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine

(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine (PubChem CID 58878881) has the molecular formula C10H8Cl2FNO2 and a molecular weight of 264.08 g/mol. Its IUPAC name is (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine
PubChem CID58878881
Molecular FormulaC10H8Cl2FNO2
Molecular Weight264.08 g/mol
Exact Mass262.99
IUPAC Name(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(F)c(OCC=C(Cl)Cl)c1
InChIInChI=1S/C10H8Cl2FNO2/c11-10(12)3-4-16-9-5-7(6-14-15)1-2-8(9)13/h1-3,5-6,15H,4H2/b14-6+
InChIKeyLHVAZWXNWSBBPD-MKMNVTDBSA-N
XLogP3.33
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine (CID 58878881) is (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine is O/N=C/c1ccc(F)c(OCC=C(Cl)Cl)c1.
What is the InChIKey of (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine?
The InChIKey is LHVAZWXNWSBBPD-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H8Cl2FNO2/c11-10(12)3-4-16-9-5-7(6-14-15)1-2-8(9)13/h1-3,5-6,15H,4H2/b14-6+.
What are the key properties of (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine?
(NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine has a molecular weight of 264.08 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(3,3-dichloroprop-2-enoxy)-4-fluorophenyl]methylidene]hydroxylamine is sourced from PubChem (CID 58878881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).