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

C7H2F5N — CID 15688516

IUPACN-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESC=Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H2
InChIKeyYVUGLQIXBPSODL-UHFFFAOYSA-N
MW195.09 g/mol
LogP2.71
Rot. Bonds1

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

N-(2,3,4,5,6-pentafluorophenyl)methanimine (PubChem CID 15688516) has the molecular formula C7H2F5N and a molecular weight of 195.09 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)methanimine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)methanimine
PubChem CID15688516
Molecular FormulaC7H2F5N
Molecular Weight195.09 g/mol
Exact Mass195.01
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)methanimine
SMILESC=Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H2
InChIKeyYVUGLQIXBPSODL-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 52.71
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-(2,3,4,5,6-pentafluorophenyl)methanimine?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)methanimine (CID 15688516) is N-(2,3,4,5,6-pentafluorophenyl)methanimine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)methanimine is C=Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)methanimine?
The InChIKey is YVUGLQIXBPSODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H2.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)methanimine?
N-(2,3,4,5,6-pentafluorophenyl)methanimine has a molecular weight of 195.09 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)methanimine is sourced from PubChem (CID 15688516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).