(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine

C15H9F5N2O — CID 19368504

IUPAC(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
SMILESCOc1cc(F)c(/C=N/N=C/c2cc(F)c(F)c(F)c2)c(F)c1
InChIInChI=1S/C15H9F5N2O/c1-23-9-4-11(16)10(12(17)5-9)7-22-21-6-8-2-13(18)15(20)14(19)3-8/h2-7H,1H3/b21-6+,22-7+
InChIKeyUFEHNQISNRBZCQ-JSCKAOMZSA-N
MW328.24 g/mol
LogP3.84
Rot. Bonds4

About (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine

(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine (PubChem CID 19368504) has the molecular formula C15H9F5N2O and a molecular weight of 328.24 g/mol. Its IUPAC name is (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
PubChem CID19368504
Molecular FormulaC15H9F5N2O
Molecular Weight328.24 g/mol
Exact Mass328.06
IUPAC Name(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
SMILESCOc1cc(F)c(/C=N/N=C/c2cc(F)c(F)c(F)c2)c(F)c1
InChIInChI=1S/C15H9F5N2O/c1-23-9-4-11(16)10(12(17)5-9)7-22-21-6-8-2-13(18)15(20)14(19)3-8/h2-7H,1H3/b21-6+,22-7+
InChIKeyUFEHNQISNRBZCQ-JSCKAOMZSA-N
XLogP3.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747
[(2,6-difluoro-4-methoxyphenyl)methylideneamino]thiourea
CID 168534216
4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
CID 154979794
(NE)-N-[(2-chloro-6-fluoro-4-methoxyphenyl)methylidene]hydroxylamine
CID 169239016
(E)-N-[(E)-(2,6-difluoro-4-methylphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 19368335
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368822
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 54461831
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
N-[(3-fluoro-5-methoxyphenyl)methylidene]hydroxylamine
CID 163231352

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine?
The IUPAC name of (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine (CID 19368504) is (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine is COc1cc(F)c(/C=N/N=C/c2cc(F)c(F)c(F)c2)c(F)c1.
What is the InChIKey of (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine?
The InChIKey is UFEHNQISNRBZCQ-JSCKAOMZSA-N. The full InChI is InChI=1S/C15H9F5N2O/c1-23-9-4-11(16)10(12(17)5-9)7-22-21-6-8-2-13(18)15(20)14(19)3-8/h2-7H,1H3/b21-6+,22-7+.
What are the key properties of (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine?
(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine has a molecular weight of 328.24 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine is sourced from PubChem (CID 19368504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).