N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine

C8H10F3NO — CID 176552601

IUPACN-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C/C)OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-4-5-7(6(2)12-3)13-8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+
InChIKeyJRWGZSJXFSDJBK-SCFJQAPRSA-N
MW193.17 g/mol
LogP3.03
Rot. Bonds3

About N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine

N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine (PubChem CID 176552601) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine
PubChem CID176552601
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(\C=C/C)OC(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-4-5-7(6(2)12-3)13-8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+
InChIKeyJRWGZSJXFSDJBK-SCFJQAPRSA-N
XLogP3.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(1,1,1-trifluoro-4-methoxypenta-2,4-dien-2-yl)methanimine
CID 91615692
N-[(2E)-1,1,1-trifluoro-3-methoxypenta-2,4-dien-2-yl]methanimine
CID 166104341
N-[(3E,5Z)-4-(difluoromethoxy)hepta-3,5-dien-3-yl]methanimine
CID 176552719
N-[3-(trifluoromethoxy)benzene-6-id-1-yl]methanimine;uranium(2+)
CID 162619403
ethane;N-[(3Z,5Z)-4-methoxyhepta-1,3,5-trien-3-yl]methanimine
CID 142048675
N-[(2E,4Z)-3-methoxyhexa-2,4-dien-2-yl]methanimine
CID 147440461
N-[(2Z,4Z)-4-methoxyhexa-2,4-dien-2-yl]methanimine
CID 147724783
N-[(2E,4E)-4-methoxyhexa-2,4-dien-2-yl]methanimine
CID 163600577
N-[(3Z,5Z)-4-methoxyhepta-1,3,5-trien-3-yl]methanimine
CID 142048676

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine (CID 176552601) is N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(\C=C/C)OC(F)(F)F.
What is the InChIKey of N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine?
The InChIKey is JRWGZSJXFSDJBK-SCFJQAPRSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-4-5-7(6(2)12-3)13-8(9,10)11/h4-5H,3H2,1-2H3/b5-4-,7-6+.
What are the key properties of N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine?
N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine has a molecular weight of 193.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-(trifluoromethoxy)hexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 176552601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).