(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine

C10H8Cl2F3N3O — CID 137278501

IUPAC(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8Cl2F3N3O/c1-5(4-16-19)17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-4,18-19H,1H3/b16-4+,17-5-
InChIKeyOLKXJKQVEAICJC-OUQXQEBOSA-N
MW314.09 g/mol
LogP4.26
Rot. Bonds3

About (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine

(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine (PubChem CID 137278501) has the molecular formula C10H8Cl2F3N3O and a molecular weight of 314.09 g/mol. Its IUPAC name is (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine
PubChem CID137278501
Molecular FormulaC10H8Cl2F3N3O
Molecular Weight314.09 g/mol
Exact Mass313.00
IUPAC Name(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine
SMILESCC(/C=N/O)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H8Cl2F3N3O/c1-5(4-16-19)17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-4,18-19H,1H3/b16-4+,17-5-
InChIKeyOLKXJKQVEAICJC-OUQXQEBOSA-N
XLogP4.26
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine (CID 137278501) is (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine is CC(/C=N/O)=N/Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine?
The InChIKey is OLKXJKQVEAICJC-OUQXQEBOSA-N. The full InChI is InChI=1S/C10H8Cl2F3N3O/c1-5(4-16-19)17-18-9-7(11)2-6(3-8(9)12)10(13,14)15/h2-4,18-19H,1H3/b16-4+,17-5-.
What are the key properties of (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine?
(NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine has a molecular weight of 314.09 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2Z)-2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]propylidene]hydroxylamine is sourced from PubChem (CID 137278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).