N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide

C8H11F3N2 — CID 162560089

IUPACN'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-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/h3-5H,1-2H3,(H2,12,13)/b4-3-,7-5+
InChIKeyKTWRYALAHVPRMN-QVXLNCAUSA-N
MW192.18 g/mol
LogP2.39
Rot. Bonds2

About N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide

N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide (PubChem CID 162560089) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
PubChem CID162560089
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC NameN'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-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/h3-5H,1-2H3,(H2,12,13)/b4-3-,7-5+
InChIKeyKTWRYALAHVPRMN-QVXLNCAUSA-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

2,2,2-trifluoro-N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917947
3-ethyl-5-methyl-6-(trifluoromethyl)-3H-azepin-2-amine
CID 126755985
N'-[(1E)-3-amino-4-methyl-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide
CID 126756080
N'-ethenyl-2-(3-fluorocyclohepta-1,3,5,6-tetraen-1-yl)ethanimidamide
CID 142149444
(2Z)-N'-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 143124547
2,2,2-trifluoro-N'-[(1Z,3Z)-5-imino-2-methylpenta-1,3-dienyl]ethanimidamide
CID 144130387
2-amino-N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]propanimidamide
CID 155266958
N'-[(2E)-2-(trifluoromethyl)penta-2,4-dienyl]ethanimidamide
CID 162560088
N'-[(1Z)-3-(difluoromethyl)buta-1,3-dienyl]propanimidamide
CID 163851621
N'-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimidamide
CID 164867572
7-(1,1-Difluoro-2-methylprop-2-enyl)-3,4-dihydroazocin-2-amine
CID 162606382
N'-[(1Z)-4-methylhexa-1,3-dienyl]ethanimidamide
CID 123664022

Frequently Asked Questions

What is the IUPAC name of N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide?
The IUPAC name of N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide (CID 162560089) is N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide?
The canonical SMILES for N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide is C/C=C\C(=C/N=C(\C)N)C(F)(F)F.
What is the InChIKey of N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide?
The InChIKey is KTWRYALAHVPRMN-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-7(8(9,10)11)5-13-6(2)12/h3-5H,1-2H3,(H2,12,13)/b4-3-,7-5+.
What are the key properties of N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide?
N'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]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'-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimidamide is sourced from PubChem (CID 162560089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).