(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide

C8H11FN2 — CID 91021348

IUPAC(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C(/F)C=C)=C/C
InChIInChI=1S/C8H11FN2/c1-3-6(8(10)11)5-7(9)4-2/h3-5H,2H2,1H3,(H3,10,11)/b6-3+,7-5+
InChIKeyJWHASJIGQOVJPD-SNCPXTGUSA-N
MW154.19 g/mol
LogP1.91
Rot. Bonds3

About (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide

(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide (PubChem CID 91021348) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
PubChem CID91021348
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C(/F)C=C)=C/C
InChIInChI=1S/C8H11FN2/c1-3-6(8(10)11)5-7(9)4-2/h3-5H,2H2,1H3,(H3,10,11)/b6-3+,7-5+
InChIKeyJWHASJIGQOVJPD-SNCPXTGUSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
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,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide?
The IUPAC name of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide (CID 91021348) is (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide.
What is the SMILES notation for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide?
The canonical SMILES for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide is [H]/N=C(N)/C(/C=C(/F)C=C)=C/C.
What is the InChIKey of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide?
The InChIKey is JWHASJIGQOVJPD-SNCPXTGUSA-N. The full InChI is InChI=1S/C8H11FN2/c1-3-6(8(10)11)5-7(9)4-2/h3-5H,2H2,1H3,(H3,10,11)/b6-3+,7-5+.
What are the key properties of (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide?
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide has a molecular weight of 154.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide is sourced from PubChem (CID 91021348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).