(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide

C9H13FN2 — CID 142166721

IUPAC(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C(/C)C=C)=C(/C)F
InChIInChI=1S/C9H13FN2/c1-4-6(2)5-8(7(3)10)9(11)12/h4-5H,1H2,2-3H3,(H3,11,12)/b6-5-,8-7-
InChIKeyAZDJXVJHSRMWQW-ISTTXYCBSA-N
MW168.21 g/mol
LogP2.30
Rot. Bonds3

About (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide

(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide (PubChem CID 142166721) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
PubChem CID142166721
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
SMILES[H]/N=C(N)/C(/C=C(/C)C=C)=C(/C)F
InChIInChI=1S/C9H13FN2/c1-4-6(2)5-8(7(3)10)9(11)12/h4-5H,1H2,2-3H3,(H3,11,12)/b6-5-,8-7-
InChIKeyAZDJXVJHSRMWQW-ISTTXYCBSA-N
XLogP2.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.30
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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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
6-Fluorocyclohexa-1,5-diene-1-carboximidamide
CID 18759979
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
(2Z)-3-(5-fluoro-2-methylcyclohepta-1,4,6-trien-1-yl)-4-methyl-2-prop-1-enylpenta-2,4-dienimidamide
CID 123653519
(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(2E,3E)-2-ethylidene-4-fluoro-N'-methylhexa-3,5-dienimidamide
CID 144000610
(2Z,4Z)-2-ethyl-3-(trifluoromethyl)hepta-2,4,6-trienimidamide
CID 144091394
2,3-Difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide
CID 145092953
(2E)-2-ethyl-4-fluoro-N'-methylpenta-2,4-dienimidamide
CID 170178765
(2Z,3Z,5E)-2-(2-fluoropropylidene)-N'-methylhepta-3,5-dienimidamide
CID 173891222
(2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienimidamide
CID 145683346

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide?
The IUPAC name of (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide (CID 142166721) is (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide.
What is the SMILES notation for (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide?
The canonical SMILES for (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide is [H]/N=C(N)/C(/C=C(/C)C=C)=C(/C)F.
What is the InChIKey of (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide?
The InChIKey is AZDJXVJHSRMWQW-ISTTXYCBSA-N. The full InChI is InChI=1S/C9H13FN2/c1-4-6(2)5-8(7(3)10)9(11)12/h4-5H,1H2,2-3H3,(H3,11,12)/b6-5-,8-7-.
What are the key properties of (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide?
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide has a molecular weight of 168.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide is sourced from PubChem (CID 142166721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).