(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine

C17H14Br2FNO — CID 145171971

IUPAC(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine
SMILESFc1ccccc1C1COC/C(=C/c2ccc(Br)cc2Br)N1
InChIInChI=1S/C17H14Br2FNO/c18-12-6-5-11(15(19)8-12)7-13-9-22-10-17(21-13)14-3-1-2-4-16(14)20/h1-8,17,21H,9-10H2/b13-7-
InChIKeyDJKGRLYHKQXTBK-QPEQYQDCSA-N
MW427.11 g/mol
LogP5.05
Rot. Bonds2

About (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine

(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine (PubChem CID 145171971) has the molecular formula C17H14Br2FNO and a molecular weight of 427.11 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine
PubChem CID145171971
Molecular FormulaC17H14Br2FNO
Molecular Weight427.11 g/mol
Exact Mass424.94
IUPAC Name(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine
SMILESFc1ccccc1C1COC/C(=C/c2ccc(Br)cc2Br)N1
InChIInChI=1S/C17H14Br2FNO/c18-12-6-5-11(15(19)8-12)7-13-9-22-10-17(21-13)14-3-1-2-4-16(14)20/h1-8,17,21H,9-10H2/b13-7-
InChIKeyDJKGRLYHKQXTBK-QPEQYQDCSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.11
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine?
The IUPAC name of (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine (CID 145171971) is (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine.
What is the SMILES notation for (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine?
The canonical SMILES for (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine is Fc1ccccc1C1COC/C(=C/c2ccc(Br)cc2Br)N1.
What is the InChIKey of (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine?
The InChIKey is DJKGRLYHKQXTBK-QPEQYQDCSA-N. The full InChI is InChI=1S/C17H14Br2FNO/c18-12-6-5-11(15(19)8-12)7-13-9-22-10-17(21-13)14-3-1-2-4-16(14)20/h1-8,17,21H,9-10H2/b13-7-.
What are the key properties of (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine?
(3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine has a molecular weight of 427.11 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dibromophenyl)methylidene]-5-(2-fluorophenyl)morpholine is sourced from PubChem (CID 145171971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).