(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine

C13H6F5NO — CID 11044378

IUPAC(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)7-3-1-6(2-4-7)5-19-20/h1-5,20H/b19-5+
InChIKeyKTDNGTITPRMBGE-PTXOJBNSSA-N
MW287.19 g/mol
LogP3.86
Rot. Bonds2

About (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine (PubChem CID 11044378) has the molecular formula C13H6F5NO and a molecular weight of 287.19 g/mol. Its IUPAC name is (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine
PubChem CID11044378
Molecular FormulaC13H6F5NO
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Name(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C13H6F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)7-3-1-6(2-4-7)5-19-20/h1-5,20H/b19-5+
InChIKeyKTDNGTITPRMBGE-PTXOJBNSSA-N
XLogP3.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine (CID 11044378) is (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine?
The InChIKey is KTDNGTITPRMBGE-PTXOJBNSSA-N. The full InChI is InChI=1S/C13H6F5NO/c14-9-8(10(15)12(17)13(18)11(9)16)7-3-1-6(2-4-7)5-19-20/h1-5,20H/b19-5+.
What are the key properties of (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine has a molecular weight of 287.19 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(2,3,4,5,6-pentafluorophenyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 11044378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).