(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine

C8H6Cl3NO — CID 170909172

IUPAC(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
SMILESO/N=C(/c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
InChIKeyYVYJWHDHTSPGOT-GHXNOFRVSA-N
MW238.50 g/mol
LogP3.24
Rot. Bonds1

About (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine

(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine (PubChem CID 170909172) has the molecular formula C8H6Cl3NO and a molecular weight of 238.50 g/mol. Its IUPAC name is (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
PubChem CID170909172
Molecular FormulaC8H6Cl3NO
Molecular Weight238.50 g/mol
Exact Mass236.95
IUPAC Name(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
SMILESO/N=C(/c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-
InChIKeyYVYJWHDHTSPGOT-GHXNOFRVSA-N
XLogP3.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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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Related Compounds

(NZ)-N-(2,2-dimethyl-1-phenylbut-3-enylidene)hydroxylamine
CID 124643608
N-(2,2,4,4-tetramethyl-1-phenylpentylidene)hydroxylamine
CID 173302298
N-ethyl-N-[(1E)-1-hydroxyimino-2-methyl-1-phenylpropan-2-yl]hydroxylamine
CID 5337789
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
benzoic acid;chromium
CID 139063467
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
N'-hydroxybenzenecarboximidamide
CID 142861747
1-(1-hydroxyimino-2-methyl-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 3417354
benzamide;2,2,2-trichloroacetic acid
CID 70538723
N-tert-butyl-2,2-dimethyl-1-phenylpropan-1-imine
CID 15739864
sodium N-hydroxybenzenecarboximidate
CID 141386787
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine (CID 170909172) is (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine is O/N=C(/c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine?
The InChIKey is YVYJWHDHTSPGOT-GHXNOFRVSA-N. The full InChI is InChI=1S/C8H6Cl3NO/c9-8(10,11)7(12-13)6-4-2-1-3-5-6/h1-5,13H/b12-7-.
What are the key properties of (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine?
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine has a molecular weight of 238.50 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine is sourced from PubChem (CID 170909172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).