(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide

C8H11F3N2 — CID 139435453

IUPAC(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILESC=C(/C=C(C)/C(N)=N/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(7(12)13-3)4-6(2)8(9,10)11/h4H,2H2,1,3H3,(H2,12,13)/b5-4+
InChIKeyZHCBFXCTLYEBTO-SNAWJCMRSA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds2

About (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide

(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide (PubChem CID 139435453) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
PubChem CID139435453
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide
SMILESC=C(/C=C(C)/C(N)=N/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(7(12)13-3)4-6(2)8(9,10)11/h4H,2H2,1,3H3,(H2,12,13)/b5-4+
InChIKeyZHCBFXCTLYEBTO-SNAWJCMRSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.04
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 (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The IUPAC name of (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide (CID 139435453) is (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide.
What is the SMILES notation for (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The canonical SMILES for (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide is C=C(/C=C(C)/C(N)=N/C)C(F)(F)F.
What is the InChIKey of (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
The InChIKey is ZHCBFXCTLYEBTO-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(7(12)13-3)4-6(2)8(9,10)11/h4H,2H2,1,3H3,(H2,12,13)/b5-4+.
What are the key properties of (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide?
(2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide has a molecular weight of 192.18 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N',2-dimethyl-4-(trifluoromethyl)penta-2,4-dienimidamide is sourced from PubChem (CID 139435453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).