1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C13H20F3NO — CID 63826425

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C13H20F3NO/c1-9(12-7-10-2-3-11(12)6-10)17-4-5-18-8-13(14,15)16/h2-3,9-12,17H,4-8H2,1H3
InChIKeyVTEIVOPNQWXKQF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.76
Rot. Bonds6

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 63826425) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID63826425
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)C1CC2C=CC1C2
InChIInChI=1S/C13H20F3NO/c1-9(12-7-10-2-3-11(12)6-10)17-4-5-18-8-13(14,15)16/h2-3,9-12,17H,4-8H2,1H3
InChIKeyVTEIVOPNQWXKQF-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 63826425) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)C1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is VTEIVOPNQWXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-9(12-7-10-2-3-11(12)6-10)17-4-5-18-8-13(14,15)16/h2-3,9-12,17H,4-8H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 63826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).