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

C14H8F5N — CID 3442452

IUPACN-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/Cc2ccccc2)c(F)c1F
InChIInChI=1S/C14H8F5N/c15-10-9(11(16)13(18)14(19)12(10)17)7-20-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b20-7+
InChIKeyNVSXMIARPOKNGA-IFRROFPPSA-N
MW285.21 g/mol
LogP4.00
Rot. Bonds3

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

N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 3442452) has the molecular formula C14H8F5N and a molecular weight of 285.21 g/mol. Its IUPAC name is N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID3442452
Molecular FormulaC14H8F5N
Molecular Weight285.21 g/mol
Exact Mass285.06
IUPAC NameN-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESFc1c(F)c(F)c(/C=N/Cc2ccccc2)c(F)c1F
InChIInChI=1S/C14H8F5N/c15-10-9(11(16)13(18)14(19)12(10)17)7-20-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b20-7+
InChIKeyNVSXMIARPOKNGA-IFRROFPPSA-N
XLogP4.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 3442452) is N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine is Fc1c(F)c(F)c(/C=N/Cc2ccccc2)c(F)c1F.
What is the InChIKey of N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is NVSXMIARPOKNGA-IFRROFPPSA-N. The full InChI is InChI=1S/C14H8F5N/c15-10-9(11(16)13(18)14(19)12(10)17)7-20-6-8-4-2-1-3-5-8/h1-5,7H,6H2/b20-7+.
What are the key properties of N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine?
N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 285.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 3442452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).