N-(2,2,2-trichloroethylideneamino)aniline

C8H7Cl3N2 — CID 70632285

IUPACN-(2,2,2-trichloroethylideneamino)aniline
SMILESClC(Cl)(Cl)C=NNc1ccccc1
InChIInChI=1S/C8H7Cl3N2/c9-8(10,11)6-12-13-7-4-2-1-3-5-7/h1-6,13H
InChIKeyUIAUZELLKGYWTL-UHFFFAOYSA-N
MW237.52 g/mol
LogP3.45
Rot. Bonds2

About N-(2,2,2-trichloroethylideneamino)aniline

N-(2,2,2-trichloroethylideneamino)aniline (PubChem CID 70632285) has the molecular formula C8H7Cl3N2 and a molecular weight of 237.52 g/mol. Its IUPAC name is N-(2,2,2-trichloroethylideneamino)aniline.

Molecular Properties

Compound NameN-(2,2,2-trichloroethylideneamino)aniline
PubChem CID70632285
Molecular FormulaC8H7Cl3N2
Molecular Weight237.52 g/mol
Exact Mass235.97
IUPAC NameN-(2,2,2-trichloroethylideneamino)aniline
SMILESClC(Cl)(Cl)C=NNc1ccccc1
InChIInChI=1S/C8H7Cl3N2/c9-8(10,11)6-12-13-7-4-2-1-3-5-7/h1-6,13H
InChIKeyUIAUZELLKGYWTL-UHFFFAOYSA-N
XLogP3.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.52
LogP ≤ 53.45
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
N-[(E)-2-aminoethylideneamino]aniline
CID 58684033
(1E,2E)-N-phenyl-2-(phenylhydrazinylidene)ethanehydrazonoyl chloride
CID 134879796
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205
(4E)-1-chloro-1,1-difluoro-4-(phenylhydrazinylidene)-2-(trifluoromethyl)butan-2-ol
CID 3063336
(3E)-3-(phenylhydrazinylidene)propanenitrile
CID 12847960
N-[(Z)-(4-phenylphenyl)methylideneamino]aniline
CID 5356673
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
(2E)-N'-anilino-2-(phenylhydrazinylidene)ethanimidamide
CID 15309595
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
N-[(3,5-difluorophenyl)methylideneamino]aniline
CID 169381503
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline
CID 169383776

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloroethylideneamino)aniline?
The IUPAC name of N-(2,2,2-trichloroethylideneamino)aniline (CID 70632285) is N-(2,2,2-trichloroethylideneamino)aniline.
What is the SMILES notation for N-(2,2,2-trichloroethylideneamino)aniline?
The canonical SMILES for N-(2,2,2-trichloroethylideneamino)aniline is ClC(Cl)(Cl)C=NNc1ccccc1.
What is the InChIKey of N-(2,2,2-trichloroethylideneamino)aniline?
The InChIKey is UIAUZELLKGYWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2/c9-8(10,11)6-12-13-7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of N-(2,2,2-trichloroethylideneamino)aniline?
N-(2,2,2-trichloroethylideneamino)aniline has a molecular weight of 237.52 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloroethylideneamino)aniline is sourced from PubChem (CID 70632285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).