(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine

C16H16F5NO — CID 91740472

IUPAC(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine
SMILESCCCC/C=C/C=C/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H16F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h5-9H,2-4,10H2,1H3/b6-5+,8-7+,22-9+
InChIKeyDEXKLLPZRSMCAS-QGUPEEGPSA-N
MW333.30 g/mol
LogP5.19
Rot. Bonds8

About (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine

(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine (PubChem CID 91740472) has the molecular formula C16H16F5NO and a molecular weight of 333.30 g/mol. Its IUPAC name is (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine.

Molecular Properties

Compound Name(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine
PubChem CID91740472
Molecular FormulaC16H16F5NO
Molecular Weight333.30 g/mol
Exact Mass333.12
IUPAC Name(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine
SMILESCCCC/C=C/C=C/C=N/OCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H16F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h5-9H,2-4,10H2,1H3/b6-5+,8-7+,22-9+
InChIKeyDEXKLLPZRSMCAS-QGUPEEGPSA-N
XLogP5.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.30
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
Acetone O-pentafluorophenylmethyl-oxime
CID 602576
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
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
Pentanal O-benzyloxime
CID 9602269
Bis-O-pentafluorobenzyloxime glycoldial
CID 602476

Frequently Asked Questions

What is the IUPAC name of (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine?
The IUPAC name of (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine (CID 91740472) is (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine.
What is the SMILES notation for (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine?
The canonical SMILES for (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine is CCCC/C=C/C=C/C=N/OCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine?
The InChIKey is DEXKLLPZRSMCAS-QGUPEEGPSA-N. The full InChI is InChI=1S/C16H16F5NO/c1-2-3-4-5-6-7-8-9-22-23-10-11-12(17)14(19)16(21)15(20)13(11)18/h5-9H,2-4,10H2,1H3/b6-5+,8-7+,22-9+.
What are the key properties of (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine?
(E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine has a molecular weight of 333.30 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E,4E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]nona-2,4-dien-1-imine is sourced from PubChem (CID 91740472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).