(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide

C9H13FN2 — CID 144000610

IUPAC(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
SMILESC/C=C(\C=C(/C=C)\F)/C(=NC)N
InChIInChI=1S/C9H13FN2/c1-4-7(9(11)12-3)6-8(10)5-2/h4-6H,2H2,1,3H3,(H2,11,12)/b7-4+,8-6+
InChIKeyVDXWTHUUGMHLLS-IJYBVRAASA-N
MW168.21 g/mol
LogP1.50
Rot. Bonds3

About (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide

(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide (PubChem CID 144000610) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
PubChem CID144000610
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
SMILESC/C=C(\C=C(/C=C)\F)/C(=NC)N
InChIInChI=1S/C9H13FN2/c1-4-7(9(11)12-3)6-8(10)5-2/h4-6H,2H2,1,3H3,(H2,11,12)/b7-4+,8-6+
InChIKeyVDXWTHUUGMHLLS-IJYBVRAASA-N
XLogP1.50
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 139435453
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 143124547
(4Z)-4-[(Z)-1-fluoro-3-methylpent-2-enylidene]-3-methylidene-2H-pyrrol-5-amine
CID 144144527
(E)-2-(2-fluoropropan-2-yl)-N'-methylbut-2-enimidamide
CID 147992100
N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
CID 170178765
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
CID 170194613
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide?
The IUPAC name of (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide (CID 144000610) is (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide.
What is the SMILES notation for (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide?
The canonical SMILES for (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide is C/C=C(\C=C(/C=C)\F)/C(=NC)N.
What is the InChIKey of (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide?
The InChIKey is VDXWTHUUGMHLLS-IJYBVRAASA-N. The full InChI is InChI=1S/C9H13FN2/c1-4-7(9(11)12-3)6-8(10)5-2/h4-6H,2H2,1,3H3,(H2,11,12)/b7-4+,8-6+.
What are the key properties of (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide?
(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide has a molecular weight of 168.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide is sourced from PubChem (CID 144000610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).