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

C16H10F5NO — CID 91752818

IUPAC(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine
SMILESFc1c(F)c(F)c(CO/N=C/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C16H10F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2/b7-4+,22-8+
InChIKeyLIDMFHBBTNZNCB-RPOCDWGESA-N
MW327.25 g/mol
LogP4.60
Rot. Bonds5

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

(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine (PubChem CID 91752818) has the molecular formula C16H10F5NO and a molecular weight of 327.25 g/mol. Its IUPAC name is (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine
PubChem CID91752818
Molecular FormulaC16H10F5NO
Molecular Weight327.25 g/mol
Exact Mass327.07
IUPAC Name(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine
SMILESFc1c(F)c(F)c(CO/N=C/C=C/c2ccccc2)c(F)c1F
InChIInChI=1S/C16H10F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2/b7-4+,22-8+
InChIKeyLIDMFHBBTNZNCB-RPOCDWGESA-N
XLogP4.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.60
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
5-(2-Fluorophenyl)-4,5-dihydroisoxazole
CID 129838346
O-benzylbenzaldoxime
CID 561973
Pentanal O-benzyloxime
CID 9602269
Benzadehyde O-benzyloxime
CID 9602276

Frequently Asked Questions

What is the IUPAC name of (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine?
The IUPAC name of (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine (CID 91752818) is (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine is Fc1c(F)c(F)c(CO/N=C/C=C/c2ccccc2)c(F)c1F.
What is the InChIKey of (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine?
The InChIKey is LIDMFHBBTNZNCB-RPOCDWGESA-N. The full InChI is InChI=1S/C16H10F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2/b7-4+,22-8+.
What are the key properties of (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine?
(E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine has a molecular weight of 327.25 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 91752818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).