N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

C17H13F5N2O — CID 2356378

IUPACN-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2N2CCOCC2)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-13-10(14(19)16(21)17(22)15(13)20)9-23-11-3-1-2-4-12(11)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+
InChIKeyMQMAYSLZVVCHPL-NUGSKGIGSA-N
MW356.29 g/mol
LogP3.97
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine

N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 2356378) has the molecular formula C17H13F5N2O and a molecular weight of 356.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID2356378
Molecular FormulaC17H13F5N2O
Molecular Weight356.29 g/mol
Exact Mass356.09
IUPAC NameN-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/c2ccccc2N2CCOCC2)c(F)c1F
InChIInChI=1S/C17H13F5N2O/c18-13-10(14(19)16(21)17(22)15(13)20)9-23-11-3-1-2-4-12(11)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+
InChIKeyMQMAYSLZVVCHPL-NUGSKGIGSA-N
XLogP3.97
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135810605
4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 3371696
1-(4-fluorophenyl)-6-hydroxy-5-[(2-pyrrolidin-1-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3555866
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286
1-methyl-N-(2-morpholin-4-ylphenyl)pyrrolidin-2-imine
CID 15746242
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
N'-(2-morpholin-4-ylphenyl)thiomorpholin-1-ium-1-carboximidamide
CID 172739451
10-(2-iodophenyl)-1,4,7-trioxa-10-azacyclododecane
CID 101167141
2-fluoro-6-morpholin-4-ylphenol
CID 46737228
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
N'-(2-piperidin-1-ylphenyl)morpholine-4-carboximidamide
CID 15746476
4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 133282213

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 2356378) is N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1c(F)c(F)c(/C=N/c2ccccc2N2CCOCC2)c(F)c1F.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is MQMAYSLZVVCHPL-NUGSKGIGSA-N. The full InChI is InChI=1S/C17H13F5N2O/c18-13-10(14(19)16(21)17(22)15(13)20)9-23-11-3-1-2-4-12(11)24-5-7-25-8-6-24/h1-4,9H,5-8H2/b23-9+.
What are the key properties of N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 356.29 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 2356378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).