(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine

C19H19F2NO — CID 10087051

IUPAC(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILESC=C(/N=C1\C=CC=C\C1=C(\F)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C19H19F2NO/c1-13(14-9-5-7-11-16(14)20)22-17-12-8-6-10-15(17)18(21)23-19(2,3)4/h5-12H,1H2,2-4H3/b18-15+,22-17+
InChIKeyDNRXZIZPZQCXAU-BEVFYSPWSA-N
MW315.36 g/mol
LogP5.36
Rot. Bonds3

About (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine

(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine (PubChem CID 10087051) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine
PubChem CID10087051
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine
SMILESC=C(/N=C1\C=CC=C\C1=C(\F)OC(C)(C)C)c1ccccc1F
InChIInChI=1S/C19H19F2NO/c1-13(14-9-5-7-11-16(14)20)22-17-12-8-6-10-15(17)18(21)23-19(2,3)4/h5-12H,1H2,2-4H3/b18-15+,22-17+
InChIKeyDNRXZIZPZQCXAU-BEVFYSPWSA-N
XLogP5.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine (CID 10087051) is (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine is C=C(/N=C1\C=CC=C\C1=C(\F)OC(C)(C)C)c1ccccc1F.
What is the InChIKey of (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine?
The InChIKey is DNRXZIZPZQCXAU-BEVFYSPWSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-13(14-9-5-7-11-16(14)20)22-17-12-8-6-10-15(17)18(21)23-19(2,3)4/h5-12H,1H2,2-4H3/b18-15+,22-17+.
What are the key properties of (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine?
(6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine has a molecular weight of 315.36 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[fluoro-[(2-methylpropan-2-yl)oxy]methylidene]-N-[1-(2-fluorophenyl)ethenyl]cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 10087051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).