2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide

C21H20F3NO — CID 550548

IUPAC2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C(F)(F)F
InChIInChI=1S/C21H20F3NO/c1-25(20(26)21(22,23)24)14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11H,6,12-14H2,1H3
InChIKeyUMONLFZBRKCYGG-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.63
Rot. Bonds3

About 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide

2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide (PubChem CID 550548) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
PubChem CID550548
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide
SMILESCN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C(F)(F)F
InChIInChI=1S/C21H20F3NO/c1-25(20(26)21(22,23)24)14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11H,6,12-14H2,1H3
InChIKeyUMONLFZBRKCYGG-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide (CID 550548) is 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide is CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
The InChIKey is UMONLFZBRKCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-25(20(26)21(22,23)24)14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11H,6,12-14H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]acetamide is sourced from PubChem (CID 550548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).