(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

C8H5BrF3NO2 — CID 90156005

IUPAC(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-6-1-2-7(15-8(10,11)12)5(3-6)4-13-14/h1-4,14H/b13-4+
InChIKeyKJLOPSSJFWERKB-YIXHJXPBSA-N
MW284.03 g/mol
LogP3.16
Rot. Bonds2

About (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine

(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (PubChem CID 90156005) has the molecular formula C8H5BrF3NO2 and a molecular weight of 284.03 g/mol. Its IUPAC name is (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
PubChem CID90156005
Molecular FormulaC8H5BrF3NO2
Molecular Weight284.03 g/mol
Exact Mass282.95
IUPAC Name(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Br)ccc1OC(F)(F)F
InChIInChI=1S/C8H5BrF3NO2/c9-6-1-2-7(15-8(10,11)12)5(3-6)4-13-14/h1-4,14H/b13-4+
InChIKeyKJLOPSSJFWERKB-YIXHJXPBSA-N
XLogP3.16
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.03
LogP ≤ 53.16
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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Related Compounds

N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
(NZ)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 26596685
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 73053788
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
N-[[5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 22680629
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
N-[[5-bromo-2-[2-(4-chlorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20990708
(NZ)-N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 51491083
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
[4-bromo-2-[(Z)-hydroxyiminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126081877
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine (CID 90156005) is (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is O/N=C/c1cc(Br)ccc1OC(F)(F)F.
What is the InChIKey of (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
The InChIKey is KJLOPSSJFWERKB-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H5BrF3NO2/c9-6-1-2-7(15-8(10,11)12)5(3-6)4-13-14/h1-4,14H/b13-4+.
What are the key properties of (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine?
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine has a molecular weight of 284.03 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 90156005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).