N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide

C22H34F3NO — CID 54035364

IUPACN-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)26-20-22(23,24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,26,27)
InChIKeyLINXOYYKWBSSSE-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.81
Rot. Bonds15

About N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide

N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 54035364) has the molecular formula C22H34F3NO and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide
PubChem CID54035364
Molecular FormulaC22H34F3NO
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC NameN-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(F)(F)F
InChIInChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)26-20-22(23,24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,26,27)
InChIKeyLINXOYYKWBSSSE-UHFFFAOYSA-N
XLogP6.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide (CID 54035364) is N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide is CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is LINXOYYKWBSSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(27)26-20-22(23,24)25/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,26,27).
What are the key properties of N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide?
N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 385.51 g/mol, XLogP of 6.81, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 54035364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).