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

C11H8F5NO — CID 91746720

IUPAC(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine
SMILESC/C=C/C=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4?
InChIKeyQNPFFCQTVXPCLD-ZBUYTABWSA-N
MW265.18 g/mol
LogP3.46
Rot. Bonds4

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

(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine (PubChem CID 91746720) has the molecular formula C11H8F5NO and a molecular weight of 265.18 g/mol. Its IUPAC name is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine
PubChem CID91746720
Molecular FormulaC11H8F5NO
Molecular Weight265.18 g/mol
Exact Mass265.05
IUPAC Name(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine
SMILESC/C=C/C=NOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4?
InChIKeyQNPFFCQTVXPCLD-ZBUYTABWSA-N
XLogP3.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 53.46
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 (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine?
The IUPAC name of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine (CID 91746720) is (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine?
The canonical SMILES for (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine is C/C=C/C=NOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine?
The InChIKey is QNPFFCQTVXPCLD-ZBUYTABWSA-N. The full InChI is InChI=1S/C11H8F5NO/c1-2-3-4-17-18-5-6-7(12)9(14)11(16)10(15)8(6)13/h2-4H,5H2,1H3/b3-2+,17-4?.
What are the key properties of (E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine?
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]but-2-en-1-imine has a molecular weight of 265.18 g/mol, XLogP of 3.46, 4 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]but-2-en-1-imine is sourced from PubChem (CID 91746720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).