(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine

C14H9F3N2O4 — CID 88726783

IUPAC(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C=N\O
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)10-1-3-11(4-2-10)23-12-5-6-13(19(21)22)9(7-12)8-18-20/h1-8,20H/b18-8-
InChIKeyACMIIAWTBOFCJP-LSCVHKIXSA-N
MW326.23 g/mol
LogP4.21
Rot. Bonds4

About (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine

(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine (PubChem CID 88726783) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
PubChem CID88726783
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C=N\O
InChIInChI=1S/C14H9F3N2O4/c15-14(16,17)10-1-3-11(4-2-10)23-12-5-6-13(19(21)22)9(7-12)8-18-20/h1-8,20H/b18-8-
InChIKeyACMIIAWTBOFCJP-LSCVHKIXSA-N
XLogP4.21
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 88688505
CID 88688505
(NZ)-N-[[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine
CID 126083188
1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-N-phenylmethanimine
CID 154395079
N-tert-butyl-2-nitro-5-[4-(trifluoromethyl)phenoxy]aniline;dihydroxy(oxo)phosphanium
CID 70464751
2-[[4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]guanidine
CID 168591258
methyl 6-[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]-3,6-dioxohexanoate
CID 70451793
1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 142715940
1-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217266
4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 2779971
N'-hydroxy-2-(4-nitrobenzoyl)-4-[4-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 91191949
5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-N-sulfonylbenzamide;methane
CID 87670678
5-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid chloride
CID 86739293

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine (CID 88726783) is (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine is O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1/C=N\O.
What is the InChIKey of (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is ACMIIAWTBOFCJP-LSCVHKIXSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-14(16,17)10-1-3-11(4-2-10)23-12-5-6-13(19(21)22)9(7-12)8-18-20/h1-8,20H/b18-8-.
What are the key properties of (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine?
(NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 326.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-nitro-5-[4-(trifluoromethyl)phenoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 88726783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).