(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide

C28H48FNO — CID 5283439

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide
SMILESCCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C28H48FNO/c1-5-6-7-16-19-22-28(3,4)23-20-17-14-12-10-8-9-11-13-15-18-21-26(2)27(31)30-25-24-29/h8-9,12-15,20,23,26H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,30,31)/b9-8-,14-12-,15-13-,23-20-
InChIKeyFNVGQXLOPHGANI-RPHFINAJSA-N
MW433.70 g/mol
LogP8.27
Rot. Bonds19

About (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide (PubChem CID 5283439) has the molecular formula C28H48FNO and a molecular weight of 433.70 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide
PubChem CID5283439
Molecular FormulaC28H48FNO
Molecular Weight433.70 g/mol
Exact Mass433.37
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide
SMILESCCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C28H48FNO/c1-5-6-7-16-19-22-28(3,4)23-20-17-14-12-10-8-9-11-13-15-18-21-26(2)27(31)30-25-24-29/h8-9,12-15,20,23,26H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,30,31)/b9-8-,14-12-,15-13-,23-20-
InChIKeyFNVGQXLOPHGANI-RPHFINAJSA-N
XLogP8.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.70
LogP ≤ 58.27
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 (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide (CID 5283439) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide is CCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide?
The InChIKey is FNVGQXLOPHGANI-RPHFINAJSA-N. The full InChI is InChI=1S/C28H48FNO/c1-5-6-7-16-19-22-28(3,4)23-20-17-14-12-10-8-9-11-13-15-18-21-26(2)27(31)30-25-24-29/h8-9,12-15,20,23,26H,5-7,10-11,16-19,21-22,24-25H2,1-4H3,(H,30,31)/b9-8-,14-12-,15-13-,23-20-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide has a molecular weight of 433.70 g/mol, XLogP of 8.27, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethyltricosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).