N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine

C16H12F4N2O — CID 54461831

IUPACN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C16H12F4N2O/c1-23-14-7-4-12(15(17)8-14)10-22-21-9-11-2-5-13(6-3-11)16(18,19)20/h2-10H,1H3
InChIKeyXCDGYOMTWNSACN-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.31
Rot. Bonds4

About N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine

N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 54461831) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID54461831
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(C(F)(F)F)cc2)c(F)c1
InChIInChI=1S/C16H12F4N2O/c1-23-14-7-4-12(15(17)8-14)10-22-21-9-11-2-5-13(6-3-11)16(18,19)20/h2-10H,1H3
InChIKeyXCDGYOMTWNSACN-UHFFFAOYSA-N
XLogP4.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.31
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

N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-(4-methylphenyl)methanimine
CID 54221747
(E)-N-[(E)-(4-butyl-2-fluorophenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine
CID 19368380
(E)-N-[(E)-(2-fluoro-4-propylphenyl)methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368935
(E)-1-(2-fluoro-4-methoxyphenyl)-N-methoxymethanimine
CID 135083783
(E)-N-[(E)-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368822
N-[(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(4-fluorophenyl)methanimine
CID 54205249
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
1-ethenyl-2-fluoro-4-methoxybenzene
CID 119031990
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanimine
CID 74057330
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
2-(2-fluoro-4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 172907025
(E)-N-[(E)-[4-(difluoromethoxy)-3,5-difluorophenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368279

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 54461831) is N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine is COc1ccc(C=NN=Cc2ccc(C(F)(F)F)cc2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is XCDGYOMTWNSACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O/c1-23-14-7-4-12(15(17)8-14)10-22-21-9-11-2-5-13(6-3-11)16(18,19)20/h2-10H,1H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine?
N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 324.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methylideneamino]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 54461831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).