N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine

C20H13F3INO — CID 102078024

IUPACN-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(Oc2ccccc2)c(/C=N/c2ccccc2I)c1
InChIInChI=1S/C20H13F3INO/c21-20(22,23)15-10-11-19(26-16-6-2-1-3-7-16)14(12-15)13-25-18-9-5-4-8-17(18)24/h1-13H/b25-13+
InChIKeyYKCFSPBRVSIPNQ-DHRITJCHSA-N
MW467.23 g/mol
LogP6.85
Rot. Bonds4

About N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine

N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine (PubChem CID 102078024) has the molecular formula C20H13F3INO and a molecular weight of 467.23 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
PubChem CID102078024
Molecular FormulaC20H13F3INO
Molecular Weight467.23 g/mol
Exact Mass467.00
IUPAC NameN-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(Oc2ccccc2)c(/C=N/c2ccccc2I)c1
InChIInChI=1S/C20H13F3INO/c21-20(22,23)15-10-11-19(26-16-6-2-1-3-7-16)14(12-15)13-25-18-9-5-4-8-17(18)24/h1-13H/b25-13+
InChIKeyYKCFSPBRVSIPNQ-DHRITJCHSA-N
XLogP6.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.23
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-1-[2-(4-phenylphenoxy)phenyl]methanimine
CID 102078029
2,4-dichloro-6-[[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3382643
2-[[2-phenylmethoxy-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172088
1-[3-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217266
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
1-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-phenylmethanimine
CID 126206232
1-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-N-phenylmethanimine
CID 154395079
1-[2-methyl-5-(trifluoromethyl)phenyl]-N-phenylmethanimine
CID 23340663
1-(5-fluoro-2-phenylphenyl)-N-(2-iodophenyl)methanimine
CID 102078012
2-[[8-[[2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(trifluoromethyl)phenol
CID 137068909
2-azido-1-(4-phenylphenoxy)-4-(trifluoromethyl)benzene
CID 169325187
1-(3,5-ditert-butyl-2-dimethylalumanyloxyphenyl)-N-(2-phenoxyphenyl)methanimine
CID 16687406

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine (CID 102078024) is N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(Oc2ccccc2)c(/C=N/c2ccccc2I)c1.
What is the InChIKey of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?
The InChIKey is YKCFSPBRVSIPNQ-DHRITJCHSA-N. The full InChI is InChI=1S/C20H13F3INO/c21-20(22,23)15-10-11-19(26-16-6-2-1-3-7-16)14(12-15)13-25-18-9-5-4-8-17(18)24/h1-13H/b25-13+.
What are the key properties of N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine?
N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine has a molecular weight of 467.23 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-[2-phenoxy-5-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 102078024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).