2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine

C11H14F3NO — CID 123377337

IUPAC2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
SMILESC=C=C(CN)CC=CC(=CC)OC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-9(8-15)6-5-7-10(4-2)16-11(12,13)14/h4-5,7H,1,6,8,15H2,2H3
InChIKeyAUWHIGFJNTXAME-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.04
Rot. Bonds5

About 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine

2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine (PubChem CID 123377337) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine.

Molecular Properties

Compound Name2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
PubChem CID123377337
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
SMILESC=C=C(CN)CC=CC(=CC)OC(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-3-9(8-15)6-5-7-10(4-2)16-11(12,13)14/h4-5,7H,1,6,8,15H2,2H3
InChIKeyAUWHIGFJNTXAME-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(e)-2-(4-Fluorophenetyl)-3-fluoroallylamine
CID 129699874
[4-Methoxy-1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 67926727
(2,4-Difluoro-4-methoxycyclohexa-1,5-dien-1-yl)methanamine
CID 90022615
[4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
CID 91017819
(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 143043496
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
[2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
CID 162549966
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637

Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine?
The IUPAC name of 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine (CID 123377337) is 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine.
What is the SMILES notation for 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine?
The canonical SMILES for 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine is C=C=C(CN)CC=CC(=CC)OC(F)(F)F.
What is the InChIKey of 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine?
The InChIKey is AUWHIGFJNTXAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-3-9(8-15)6-5-7-10(4-2)16-11(12,13)14/h4-5,7H,1,6,8,15H2,2H3.
What are the key properties of 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine?
2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine has a molecular weight of 233.23 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine is sourced from PubChem (CID 123377337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).