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

C15H10F5NO — CID 91727496

IUPAC(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine
SMILESFc1c(F)c(F)c(CO/N=C/Cc2ccccc2)c(F)c1F
InChIInChI=1S/C15H10F5NO/c16-11-10(12(17)14(19)15(20)13(11)18)8-22-21-7-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b21-7+
InChIKeyXZKVLDDIOBIMHZ-QPSGOUHRSA-N
MW315.24 g/mol
LogP4.13
Rot. Bonds5

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

(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine (PubChem CID 91727496) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine
PubChem CID91727496
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine
SMILESFc1c(F)c(F)c(CO/N=C/Cc2ccccc2)c(F)c1F
InChIInChI=1S/C15H10F5NO/c16-11-10(12(17)14(19)15(20)13(11)18)8-22-21-7-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b21-7+
InChIKeyXZKVLDDIOBIMHZ-QPSGOUHRSA-N
XLogP4.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.13
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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Related Compounds

Acetaldehyde-O-pentafluorobenzyloxime
CID 195097
n-Propanal, o-[(pentafluorophenyl)methyl]oxime
CID 602546
Valeraldehyde-O-pentafluorophenylmethyl-oxime
CID 9603564
Acrolein O-pentafluorophenylmethyl-oxime
CID 13828263
Propionaldehyde O-pentafluorophenylmethyl-oxime
CID 9603551
Pentanal O-pentafluorophenylmethyl-oxime
CID 602561
Crotonaldehyde-O-pentafluorophenylmethyl-oxime
CID 9603567
Glutaraldehyde bis-(O-pentafluorophenylmethyloxime)
CID 16211058
3,5-Bis(4-fluorophenyl)-4,5-dihydroisoxazole
CID 11357385
3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole
CID 102359870
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
O-benzylbenzaldoxime
CID 561973

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine?
The IUPAC name of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine (CID 91727496) is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine.
What is the SMILES notation for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine?
The canonical SMILES for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine is Fc1c(F)c(F)c(CO/N=C/Cc2ccccc2)c(F)c1F.
What is the InChIKey of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine?
The InChIKey is XZKVLDDIOBIMHZ-QPSGOUHRSA-N. The full InChI is InChI=1S/C15H10F5NO/c16-11-10(12(17)14(19)15(20)13(11)18)8-22-21-7-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2/b21-7+.
What are the key properties of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine?
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine has a molecular weight of 315.24 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-2-phenylethanimine is sourced from PubChem (CID 91727496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).