2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine

C19H20F3N — CID 83985096

IUPAC2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20F3N/c20-19(21,22)13-23-12-11-18-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)18/h1-8,18,23H,9-13H2
InChIKeyCMLRGDZDQVAGPU-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.46
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine (PubChem CID 83985096) has the molecular formula C19H20F3N and a molecular weight of 319.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
PubChem CID83985096
Molecular FormulaC19H20F3N
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine
SMILESFC(F)(F)CNCCC1c2ccccc2CCc2ccccc21
InChIInChI=1S/C19H20F3N/c20-19(21,22)13-23-12-11-18-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)18/h1-8,18,23H,9-13H2
InChIKeyCMLRGDZDQVAGPU-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine (CID 83985096) is 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine is FC(F)(F)CNCCC1c2ccccc2CCc2ccccc21.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine?
The InChIKey is CMLRGDZDQVAGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N/c20-19(21,22)13-23-12-11-18-16-7-3-1-5-14(16)9-10-15-6-2-4-8-17(15)18/h1-8,18,23H,9-13H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine has a molecular weight of 319.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]ethanamine is sourced from PubChem (CID 83985096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).