N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine

C15H11F3N2O — CID 54205249

IUPACN-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
SMILESCOc1cc(F)c(C=NN=Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H11F3N2O/c1-21-12-6-14(17)13(15(18)7-12)9-20-19-8-10-2-4-11(16)5-3-10/h2-9H,1H3
InChIKeyPSBBTVIAQPKKRZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.57
Rot. Bonds4

About N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine

N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine (PubChem CID 54205249) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
PubChem CID54205249
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC NameN-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
SMILESCOc1cc(F)c(C=NN=Cc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H11F3N2O/c1-21-12-6-14(17)13(15(18)7-12)9-20-19-8-10-2-4-11(16)5-3-10/h2-9H,1H3
InChIKeyPSBBTVIAQPKKRZ-UHFFFAOYSA-N
XLogP3.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
CID 19368504
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368335
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 54461831
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279
[3-[(4-fluorophenyl)methylideneamino]-5-methoxyphenyl]methanol
CID 86729004
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979794
4-[[(4-fluorophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136628037
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-propylphenyl)methanimine
CID 19368938
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368822

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine?
The IUPAC name of N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine (CID 54205249) is N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine.
What is the SMILES notation for N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine?
The canonical SMILES for N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine is COc1cc(F)c(C=NN=Cc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine?
The InChIKey is PSBBTVIAQPKKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c1-21-12-6-14(17)13(15(18)7-12)9-20-19-8-10-2-4-11(16)5-3-10/h2-9H,1H3.
What are the key properties of N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine?
N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine has a molecular weight of 292.26 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine is sourced from PubChem (CID 54205249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).