N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine

C15H11F4N — CID 101453924

IUPACN-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine
SMILESCc1c(F)c(F)c(F)c(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H11F4N/c1-9-11(13(17)15(19)14(18)12(9)16)8-20-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3/b20-8+
InChIKeyNYPFOPRUUXMGNW-DNTJNYDQSA-N
MW281.25 g/mol
LogP4.17
Rot. Bonds3

About N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine

N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine (PubChem CID 101453924) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine
PubChem CID101453924
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC NameN-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine
SMILESCc1c(F)c(F)c(F)c(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H11F4N/c1-9-11(13(17)15(19)14(18)12(9)16)8-20-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3/b20-8+
InChIKeyNYPFOPRUUXMGNW-DNTJNYDQSA-N
XLogP4.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-Benzylidenebenzylamine
CID 95831
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
5H-Dibenz(c,e)azepine
CID 6451520
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
1H-isoindole
CID 597959
N-benzyl-1-[2-(trifluoromethyl)phenyl]methanimine oxide
CID 177614010
N-benzyl-1-(3-fluorophenyl)methanimine oxide
CID 177656748
Benzenemethanamine, N-[(pentafluorophenyl)methylene]-
CID 3442452
N-[(S)-1-Phenylethyl]-2,2,2-trifluoroethane-1-imine
CID 10750577
Benzenemethanamine, N-[(4-fluorophenyl)methylene]-
CID 10910873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine?
The IUPAC name of N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine (CID 101453924) is N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine is Cc1c(F)c(F)c(F)c(F)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine?
The InChIKey is NYPFOPRUUXMGNW-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H11F4N/c1-9-11(13(17)15(19)14(18)12(9)16)8-20-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3/b20-8+.
What are the key properties of N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine?
N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine has a molecular weight of 281.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine is sourced from PubChem (CID 101453924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).