(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide

C7H9F3N2 — CID 135254439

IUPAC(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C(=C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H3,11,12)/b4-3+
InChIKeyCCCBQFQISNIOLP-ONEGZZNKSA-N
MW178.16 g/mol
LogP1.99
Rot. Bonds2

About (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide

(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide (PubChem CID 135254439) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
PubChem CID135254439
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILES[H]/N=C(N)/C(C)=C/C(=C)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H3,11,12)/b4-3+
InChIKeyCCCBQFQISNIOLP-ONEGZZNKSA-N
XLogP1.99
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.99
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

6-Fluorocyclohexa-1,5-diene-1-carboximidamide
CID 18759979
(E)-N'-hydroxy-2-methylidene-4-(trifluoromethyl)hex-3-enimidamide
CID 87059495
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
3-(Trifluoromethyl)cyclohexa-1,3-diene-1-carboximidamide
CID 123658529
(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 139435453
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
(2Z,4Z)-2-ethyl-3-(trifluoromethyl)hepta-2,4,6-trienimidamide
CID 144091394
(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
CID 170098117
(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide
CID 178149668
2-Methylidenepent-3-enimidamide
CID 57266179
(2E,3Z)-2-ethylidenehexa-3,5-dienimidamide
CID 117660284

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The IUPAC name of (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide (CID 135254439) is (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The canonical SMILES for (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide is [H]/N=C(N)/C(C)=C/C(=C)C(F)(F)F.
What is the InChIKey of (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The InChIKey is CCCBQFQISNIOLP-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(6(11)12)3-5(2)7(8,9)10/h3H,2H2,1H3,(H3,11,12)/b4-3+.
What are the key properties of (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide has a molecular weight of 178.16 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide is sourced from PubChem (CID 135254439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).