(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide

C8H13FN2 — CID 170178765

IUPAC(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
SMILESC=C(F)/C=C(CC)/C(N)=N/C
InChIInChI=1S/C8H13FN2/c1-4-7(5-6(2)9)8(10)11-3/h5H,2,4H2,1,3H3,(H2,10,11)/b7-5+
InChIKeyOKCKOXLVVKNFTR-FNORWQNLSA-N
MW156.20 g/mol
LogP1.79
Rot. Bonds3

About (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide

(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide (PubChem CID 170178765) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
PubChem CID170178765
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
SMILESC=C(F)/C=C(CC)/C(N)=N/C
InChIInChI=1S/C8H13FN2/c1-4-7(5-6(2)9)8(10)11-3/h5H,2,4H2,1,3H3,(H2,10,11)/b7-5+
InChIKeyOKCKOXLVVKNFTR-FNORWQNLSA-N
XLogP1.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide?
The IUPAC name of (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide (CID 170178765) is (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide is C=C(F)/C=C(CC)/C(N)=N/C.
What is the InChIKey of (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide?
The InChIKey is OKCKOXLVVKNFTR-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-7(5-6(2)9)8(10)11-3/h5H,2,4H2,1,3H3,(H2,10,11)/b7-5+.
What are the key properties of (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide?
(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide has a molecular weight of 156.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 170178765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).