(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide

C11H15FN2 — CID 142470331

IUPAC(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
SMILESC=C/C=C(/F)C(=C(C)C)/C(N)=N/C=C
InChIInChI=1S/C11H15FN2/c1-5-7-9(12)10(8(3)4)11(13)14-6-2/h5-7H,1-2H2,3-4H3,(H2,13,14)/b9-7+
InChIKeyIGDJNBLFVAEXRV-VQHVLOKHSA-N
MW194.25 g/mol
LogP2.86
Rot. Bonds4

About (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide

(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide (PubChem CID 142470331) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
PubChem CID142470331
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
SMILESC=C/C=C(/F)C(=C(C)C)/C(N)=N/C=C
InChIInChI=1S/C11H15FN2/c1-5-7-9(12)10(8(3)4)11(13)14-6-2/h5-7H,1-2H2,3-4H3,(H2,13,14)/b9-7+
InChIKeyIGDJNBLFVAEXRV-VQHVLOKHSA-N
XLogP2.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.86
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 (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide?
The IUPAC name of (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide (CID 142470331) is (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide.
What is the SMILES notation for (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide?
The canonical SMILES for (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide is C=C/C=C(/F)C(=C(C)C)/C(N)=N/C=C.
What is the InChIKey of (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide?
The InChIKey is IGDJNBLFVAEXRV-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H15FN2/c1-5-7-9(12)10(8(3)4)11(13)14-6-2/h5-7H,1-2H2,3-4H3,(H2,13,14)/b9-7+.
What are the key properties of (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide?
(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide has a molecular weight of 194.25 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide is sourced from PubChem (CID 142470331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).