(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine

C9H8Cl3NO — CID 11807168

IUPAC(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
SMILESClC(Cl)(Cl)/C=N\OCc1ccccc1
InChIInChI=1S/C9H8Cl3NO/c10-9(11,12)7-13-14-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7-
InChIKeySSQSEUNQXGENQT-QPEQYQDCSA-N
MW252.53 g/mol
LogP3.56
Rot. Bonds3

About (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine

(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine (PubChem CID 11807168) has the molecular formula C9H8Cl3NO and a molecular weight of 252.53 g/mol. Its IUPAC name is (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
PubChem CID11807168
Molecular FormulaC9H8Cl3NO
Molecular Weight252.53 g/mol
Exact Mass250.97
IUPAC Name(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
SMILESClC(Cl)(Cl)/C=N\OCc1ccccc1
InChIInChI=1S/C9H8Cl3NO/c10-9(11,12)7-13-14-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7-
InChIKeySSQSEUNQXGENQT-QPEQYQDCSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
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

2-phenylmethoxyiminoacetaldehyde
CID 56611193
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
N-phenylmethoxymethanimine
CID 561610
(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
1-(1-benzylpyrrol-2-yl)-N-phenylmethoxymethanimine
CID 134842088
(6E)-6-phenylmethoxyiminohexanal
CID 14120171
N'-[(Z)-phenylmethoxyiminomethyl]ethanimidamide
CID 155392690
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine?
The IUPAC name of (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine (CID 11807168) is (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine.
What is the SMILES notation for (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine?
The canonical SMILES for (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine is ClC(Cl)(Cl)/C=N\OCc1ccccc1.
What is the InChIKey of (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine?
The InChIKey is SSQSEUNQXGENQT-QPEQYQDCSA-N. The full InChI is InChI=1S/C9H8Cl3NO/c10-9(11,12)7-13-14-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b13-7-.
What are the key properties of (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine?
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine has a molecular weight of 252.53 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,2-trichloro-N-phenylmethoxyethanimine is sourced from PubChem (CID 11807168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).