1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine

C15H12ClF2NO — CID 101158526

IUPAC1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2ccc(Cl)cc2)C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO/c1-20-13-8-6-12(7-9-13)19-14(15(17)18)10-2-4-11(16)5-3-10/h2-9,15H,1H3/b19-14-
InChIKeyQSUKTPCPCFDMFW-RGEXLXHISA-N
MW295.72 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine

1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine (PubChem CID 101158526) has the molecular formula C15H12ClF2NO and a molecular weight of 295.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine
PubChem CID101158526
Molecular FormulaC15H12ClF2NO
Molecular Weight295.72 g/mol
Exact Mass295.06
IUPAC Name1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/N=C(/c2ccc(Cl)cc2)C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO/c1-20-13-8-6-12(7-9-13)19-14(15(17)18)10-2-4-11(16)5-3-10/h2-9,15H,1H3/b19-14-
InChIKeyQSUKTPCPCFDMFW-RGEXLXHISA-N
XLogP4.73
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-4-methoxybenzenecarboximidoyl chloride
CID 24827368
1-(4-chlorophenyl)-2-fluoro-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101158528
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
CID 169086546
4-chloro-N'-(3-methoxyphenyl)-N,N-dimethylbenzenecarboximidamide
CID 525574
N-(4-fluorophenyl)-1-(4-methoxyphenyl)ethanimine
CID 139246217
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
anisole;1,4-dichlorobenzene
CID 175517246
S-(4-chlorobenzoyl)sulfanyl 4-methoxybenzenecarbothioate
CID 12596573
(E)-1-(4-chlorophenyl)-4-(4-methoxyphenyl)but-2-ene-1,4-dione
CID 102100444
N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 4863327

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine (CID 101158526) is 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine is COc1ccc(/N=C(/c2ccc(Cl)cc2)C(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine?
The InChIKey is QSUKTPCPCFDMFW-RGEXLXHISA-N. The full InChI is InChI=1S/C15H12ClF2NO/c1-20-13-8-6-12(7-9-13)19-14(15(17)18)10-2-4-11(16)5-3-10/h2-9,15H,1H3/b19-14-.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine?
1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine has a molecular weight of 295.72 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluoro-N-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 101158526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).