N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide

C8H11F3N2 — CID 162560088

IUPACN'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide
SMILESC=C/C=C(\C/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-7(8(9,10)11)5-13-6(2)12/h3-4H,1,5H2,2H3,(H2,12,13)/b7-4+
InChIKeyPQFKPBRPZDPARA-QPJJXVBHSA-N
MW192.18 g/mol
LogP2.04
Rot. Bonds3

About N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide

N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide (PubChem CID 162560088) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide
PubChem CID162560088
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC NameN'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide
SMILESC=C/C=C(\C/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-3-4-7(8(9,10)11)5-13-6(2)12/h3-4H,1,5H2,2H3,(H2,12,13)/b7-4+
InChIKeyPQFKPBRPZDPARA-QPJJXVBHSA-N
XLogP2.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 143124547
2-[(2E,4Z,6E)-8,8,8-trifluoro-7-methylocta-2,4,6-trienyl]guanidine
CID 164100101
(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide
CID 166776386
N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 162560089
(E)-N'-ethyl-4,4-difluorobut-2-enimidamide
CID 162622955

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide?
The IUPAC name of N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide (CID 162560088) is N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide?
The canonical SMILES for N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide is C=C/C=C(\C/N=C(\C)N)C(F)(F)F.
What is the InChIKey of N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide?
The InChIKey is PQFKPBRPZDPARA-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-7(8(9,10)11)5-13-6(2)12/h3-4H,1,5H2,2H3,(H2,12,13)/b7-4+.
What are the key properties of N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide?
N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide has a molecular weight of 192.18 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide is sourced from PubChem (CID 162560088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).