[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate

C8H10F3NO — CID 10750298

IUPAC[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate
SMILES[H]/N=C(\OC/C=C/C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-5,12H,6H2,1H3/b3-2+,5-4+,12-7-
InChIKeyOTAUNQSXPPNBQH-UAJIGUHOSA-N
MW193.17 g/mol
LogP2.67
Rot. Bonds3

About [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate

[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate (PubChem CID 10750298) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate.

Molecular Properties

Compound Name[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate
PubChem CID10750298
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate
SMILES[H]/N=C(\OC/C=C/C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-5,12H,6H2,1H3/b3-2+,5-4+,12-7-
InChIKeyOTAUNQSXPPNBQH-UAJIGUHOSA-N
XLogP2.67
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

hexa-2,4-dienyl (E)-but-2-enoate
CID 139967113
hexa-2,4-dienyl hexa-2,4-dienoate
CID 90852778
[(2E,4Z)-hexa-2,4-dienyl] (2R)-2-chloropropanoate
CID 92527031
[(2E,4E)-hexa-2,4-dienyl] but-2-ynoate
CID 12715034
4-[(2E,4E)-hexa-2,4-dienoxy]-4-oxobutanoate
CID 18755149
(2E,4E)-1-[(E)-prop-1-enoxy]hexa-2,4-diene
CID 100935806
hexa-2,4-dienyl dodecanoate
CID 90722785
[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
CID 134484581
[(2E,4E)-hexa-2,4-dienyl] 3-phenylpropanoate
CID 87203064
[(Z)-5-methyl-4-(2,2,2-trichloroethanimidoyl)oxyhex-2-enyl] 2,2,2-trichloroethanimidate
CID 53260517
1-O-[(2E,4E)-hexa-2,4-dienyl] 4-O-[(E)-4-methoxy-4-oxobut-2-enyl] butanedioate
CID 15247866
bis(2,2,2-trifluoroethyl) 2-[(2E,4E)-hexa-2,4-dienyl]-2-methylpropanedioate
CID 101259259

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate?
The IUPAC name of [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate (CID 10750298) is [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate.
What is the SMILES notation for [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate?
The canonical SMILES for [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate is [H]/N=C(\OC/C=C/C=C/C)C(F)(F)F.
What is the InChIKey of [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate?
The InChIKey is OTAUNQSXPPNBQH-UAJIGUHOSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-5,12H,6H2,1H3/b3-2+,5-4+,12-7-.
What are the key properties of [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate?
[(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate has a molecular weight of 193.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-hexa-2,4-dienyl] 2,2,2-trifluoroethanimidate is sourced from PubChem (CID 10750298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).