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

C8H4F5NO — CID 602486

IUPACN-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2
InChIKeySRTQFRQWTUMMTC-UHFFFAOYSA-N
MW225.12 g/mol
LogP2.51
Rot. Bonds3

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

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (PubChem CID 602486) has the molecular formula C8H4F5NO and a molecular weight of 225.12 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
PubChem CID602486
Molecular FormulaC8H4F5NO
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine
SMILESC=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2
InChIKeySRTQFRQWTUMMTC-UHFFFAOYSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine (CID 602486) is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is C=NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
The InChIKey is SRTQFRQWTUMMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO/c1-14-15-2-3-4(9)6(11)8(13)7(12)5(3)10/h1-2H2.
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine?
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine has a molecular weight of 225.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]methanimine is sourced from PubChem (CID 602486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).