2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide

C15H16F3NO — CID 18007811

IUPAC2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide
SMILESC=CCc1cc(NC(=O)C(F)(F)F)cc(CC=C)c1C
InChIInChI=1S/C15H16F3NO/c1-4-6-11-8-13(19-14(20)15(16,17)18)9-12(7-5-2)10(11)3/h4-5,8-9H,1-2,6-7H2,3H3,(H,19,20)
InChIKeyUODWQHCACBZGFG-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.95
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide (PubChem CID 18007811) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide
PubChem CID18007811
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide
SMILESC=CCc1cc(NC(=O)C(F)(F)F)cc(CC=C)c1C
InChIInChI=1S/C15H16F3NO/c1-4-6-11-8-13(19-14(20)15(16,17)18)9-12(7-5-2)10(11)3/h4-5,8-9H,1-2,6-7H2,3H3,(H,19,20)
InChIKeyUODWQHCACBZGFG-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide (CID 18007811) is 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide is C=CCc1cc(NC(=O)C(F)(F)F)cc(CC=C)c1C.
What is the InChIKey of 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide?
The InChIKey is UODWQHCACBZGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-4-6-11-8-13(19-14(20)15(16,17)18)9-12(7-5-2)10(11)3/h4-5,8-9H,1-2,6-7H2,3H3,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide has a molecular weight of 283.29 g/mol, XLogP of 3.95, 5 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-[4-methyl-3,5-bis(prop-2-enyl)phenyl]acetamide is sourced from PubChem (CID 18007811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).