N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine

C14H8F5NO — CID 602619

IUPACN-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine
SMILESFc1c(F)c(F)c(CON=Cc2ccccc2)c(F)c1F
InChIInChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyUKSAZCDAGVHMRF-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.93
Rot. Bonds4

About N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine (PubChem CID 602619) has the molecular formula C14H8F5NO and a molecular weight of 301.21 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine
PubChem CID602619
Molecular FormulaC14H8F5NO
Molecular Weight301.21 g/mol
Exact Mass301.05
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine
SMILESFc1c(F)c(F)c(CON=Cc2ccccc2)c(F)c1F
InChIInChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyUKSAZCDAGVHMRF-UHFFFAOYSA-N
XLogP3.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.93
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]-1-phenylmethanimine?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine (CID 602619) is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine is Fc1c(F)c(F)c(CON=Cc2ccccc2)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine?
The InChIKey is UKSAZCDAGVHMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)7-21-20-6-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine?
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-phenylmethanimine has a molecular weight of 301.21 g/mol, XLogP of 3.93, 4 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]-1-phenylmethanimine is sourced from PubChem (CID 602619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).