2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

C11H14F3NO2 — CID 143086039

IUPAC2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCOCCOC1=C(N)C=C(C(F)(F)F)CC=C1
InChIInChI=1S/C11H14F3NO2/c1-16-5-6-17-10-4-2-3-8(7-9(10)15)11(12,13)14/h2,4,7H,3,5-6,15H2,1H3
InChIKeyRECPGKCFWJMVIZ-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine

2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (PubChem CID 143086039) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
PubChem CID143086039
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
SMILESCOCCOC1=C(N)C=C(C(F)(F)F)CC=C1
InChIInChI=1S/C11H14F3NO2/c1-16-5-6-17-10-4-2-3-8(7-9(10)15)11(12,13)14/h2,4,7H,3,5-6,15H2,1H3
InChIKeyRECPGKCFWJMVIZ-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
Ethane;2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine
CID 143086038
(2E,4Z)-7,7,7-trifluoro-1-(2-methoxyethoxy)-6-methylhepta-2,4-dien-3-amine
CID 154985816
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
(2Z,4E)-9,9,9-trifluoro-6-(2-methoxyethoxy)nona-2,4,7-trien-4-amine
CID 166651325
4-(2,2-Difluoroethoxy)-2-fluoro-7-methylcyclohepta-1,3,5-trien-1-amine
CID 167206623
7-methyl-3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-amine
CID 134382903

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine (CID 143086039) is 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is COCCOC1=C(N)C=C(C(F)(F)F)CC=C1.
What is the InChIKey of 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
The InChIKey is RECPGKCFWJMVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-5-6-17-10-4-2-3-8(7-9(10)15)11(12,13)14/h2,4,7H,3,5-6,15H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine?
2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine has a molecular weight of 249.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-6-(trifluoromethyl)cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143086039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).