N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide

C8H11F3N2O — CID 129253220

IUPACN'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide
SMILESC=C/C=C(CC)/N=C/NOC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-5-7(4-2)12-6-13-14-8(9,10)11/h3,5-6H,1,4H2,2H3,(H,12,13)/b7-5+
InChIKeyLNIKFGJKIFTBRY-FNORWQNLSA-N
MW208.18 g/mol
LogP2.54
Rot. Bonds5

About N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide

N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide (PubChem CID 129253220) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide.

Molecular Properties

Compound NameN'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide
PubChem CID129253220
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC NameN'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide
SMILESC=C/C=C(CC)/N=C/NOC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-5-7(4-2)12-6-13-14-8(9,10)11/h3,5-6H,1,4H2,2H3,(H,12,13)/b7-5+
InChIKeyLNIKFGJKIFTBRY-FNORWQNLSA-N
XLogP2.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hexa-3,5-dien-3-ylmethanimine
CID 123675398
(3E)-4-methoxy-5-methylidenehepta-1,3-diene
CID 169163685
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
ethane;(3E)-4-ethyl-6,6,6-trifluoro-5-methylhexa-1,3-diene
CID 142269776
(3E)-4-fluorohexa-1,3-diene
CID 88586520
N-[(3E)-6-methylhepta-3,5-dien-3-yl]methanimine
CID 143137325
(2Z)-2-(methylideneamino)penta-2,4-dien-1-ol
CID 143712390
3,3-difluoro-2-methoxypent-1-ene
CID 143721934
(2E)-N-[(1Z,3E,5E)-5-methoxy-4,6-dimethylocta-1,3,5-trienyl]-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 162620483
ethane;(3E)-3-(trifluoromethoxy)hexa-1,3,5-triene
CID 157037906
(3E,5E)-4-ethoxy-5-methoxyocta-1,3,5,7-tetraene
CID 143496592
N-[(3Z)-6,6,8,8-tetramethylnona-1,3-dien-4-yl]methanimine
CID 144504919

Frequently Asked Questions

What is the IUPAC name of N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide?
The IUPAC name of N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide (CID 129253220) is N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide.
What is the SMILES notation for N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide?
The canonical SMILES for N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide is C=C/C=C(CC)/N=C/NOC(F)(F)F.
What is the InChIKey of N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide?
The InChIKey is LNIKFGJKIFTBRY-FNORWQNLSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-5-7(4-2)12-6-13-14-8(9,10)11/h3,5-6H,1,4H2,2H3,(H,12,13)/b7-5+.
What are the key properties of N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide?
N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide has a molecular weight of 208.18 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E)-hexa-3,5-dien-3-yl]-N-(trifluoromethoxy)methanimidamide is sourced from PubChem (CID 129253220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).