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

C8H11F3N2 — CID 164867572

IUPACN'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(/C=C(C)/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(8(9,10)11)4-6(2)13-7(3)12/h4H,1H2,2-3H3,(H2,12,13)/b6-4+
InChIKeyPIXQEEQIGFNJGF-GQCTYLIASA-N
MW192.18 g/mol
LogP2.39
Rot. Bonds2

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

N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide (PubChem CID 164867572) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
PubChem CID164867572
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC NameN'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
SMILESC=C(/C=C(C)/N=C(\C)N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(8(9,10)11)4-6(2)13-7(3)12/h4H,1H2,2-3H3,(H2,12,13)/b6-4+
InChIKeyPIXQEEQIGFNJGF-GQCTYLIASA-N
XLogP2.39
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 ≤ 52.39
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

N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
CID 90464549
N'-(4-fluoropent-2-en-2-yl)ethanimidamide
CID 123982863
N'-[(1E)-3-amino-4-methyl-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 126756080
N'-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-2,2,2-trifluoro-N-methylideneethanimidamide
CID 143579831
N'-[(2E,4E)-4-fluoro-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimidamide
CID 145143723
2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide
CID 154932669
potassium;carbanide;ethane;4-methyl-3-(trifluoromethyl)-2H-pyridin-2-id-6-amine
CID 164922491
N'-[(2E,4E,6E)-1,1,1-trifluoro-2,6-dimethyldeca-2,4,6-trien-5-yl]pentanimidamide
CID 153345700
N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 162560089
(E)-N'-[(Z)-1,1-difluoropent-2-en-2-yl]-3-methylhex-2-enimidamide
CID 169247484
N'-[(3Z,5E,6Z)-5-prop-2-enylidenenona-1,3,6,8-tetraen-4-yl]ethanimidamide
CID 130472311
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]ethanimidamide
CID 135257456

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide (CID 164867572) is N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide is C=C(/C=C(C)/N=C(\C)N)C(F)(F)F.
What is the InChIKey of N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is PIXQEEQIGFNJGF-GQCTYLIASA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(8(9,10)11)4-6(2)13-7(3)12/h4H,1H2,2-3H3,(H2,12,13)/b6-4+.
What are the key properties of N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide?
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 192.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 164867572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).