(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine

C8H5BrF3NO — CID 73053788

IUPAC(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO/c9-6-2-1-5(4-13-14)7(3-6)8(10,11)12/h1-4,14H/b13-4+
InChIKeyUKGKETNIHOSJDX-YIXHJXPBSA-N
MW268.03 g/mol
LogP3.28
Rot. Bonds1

About (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine

(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine (PubChem CID 73053788) has the molecular formula C8H5BrF3NO and a molecular weight of 268.03 g/mol. Its IUPAC name is (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
PubChem CID73053788
Molecular FormulaC8H5BrF3NO
Molecular Weight268.03 g/mol
Exact Mass266.95
IUPAC Name(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H5BrF3NO/c9-6-2-1-5(4-13-14)7(3-6)8(10,11)12/h1-4,14H/b13-4+
InChIKeyUKGKETNIHOSJDX-YIXHJXPBSA-N
XLogP3.28
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.03
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(S)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167530732
(NE)-N-[[5-bromo-2-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 90156005
3-[4-bromo-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482776
3-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]azetidine
CID 163262884
(NE)-N-[(4-bromo-2-nitrophenyl)methylidene]hydroxylamine
CID 114385733
4-bromo-2-(trifluoromethyl)benzenesulfinic acid
CID 50998733
(NZ)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 98115057
4-bromo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 75406354
(1Z)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride;(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172962430
N-[(5-bromo-2-propan-2-yloxyphenyl)methylidene]hydroxylamine
CID 3581077
6-bromo-4-(trifluoromethyl)quinoline
CID 135234308
N-[(4-bromophenyl)methylidene]hydroxylamine
CID 608088

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine (CID 73053788) is (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
The InChIKey is UKGKETNIHOSJDX-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H5BrF3NO/c9-6-2-1-5(4-13-14)7(3-6)8(10,11)12/h1-4,14H/b13-4+.
What are the key properties of (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine has a molecular weight of 268.03 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-bromo-2-(trifluoromethyl)phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 73053788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).