(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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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).