(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole

C11H13F2N — CID 167204290

IUPAC(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole
SMILESC=C(F)/C=C(F)\C=C1\NC=C(C)C1C
InChIInChI=1S/C11H13F2N/c1-7-6-14-11(9(7)3)5-10(13)4-8(2)12/h4-6,9,14H,2H2,1,3H3/b10-4+,11-5+
InChIKeyRGALJMLLWDZLEX-ZVSIBQGLSA-N
MW197.23 g/mol
LogP3.35
Rot. Bonds2

About (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole

(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole (PubChem CID 167204290) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole
PubChem CID167204290
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole
SMILESC=C(F)/C=C(F)\C=C1\NC=C(C)C1C
InChIInChI=1S/C11H13F2N/c1-7-6-14-11(9(7)3)5-10(13)4-8(2)12/h4-6,9,14H,2H2,1,3H3/b10-4+,11-5+
InChIKeyRGALJMLLWDZLEX-ZVSIBQGLSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole (CID 167204290) is (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole is C=C(F)/C=C(F)\C=C1\NC=C(C)C1C.
What is the InChIKey of (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole?
The InChIKey is RGALJMLLWDZLEX-ZVSIBQGLSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-6-14-11(9(7)3)5-10(13)4-8(2)12/h4-6,9,14H,2H2,1,3H3/b10-4+,11-5+.
What are the key properties of (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole?
(2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole has a molecular weight of 197.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2,4-difluoropenta-2,4-dienylidene]-3,4-dimethyl-1,3-dihydropyrrole is sourced from PubChem (CID 167204290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).