(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide

C27H46FNO — CID 5283441

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C27H46FNO/c1-5-6-18-21-27(3,4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h7,9-10,12-13,15-16,19,25H,5-6,8,11,14,17-18,20-24H2,1-4H3,(H,29,30)/b9-7-,12-10-,15-13-,19-16-
InChIKeyLCXOKJHEOHVYGG-BYKJYWHHSA-N
MW419.67 g/mol
LogP7.88
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide (PubChem CID 5283441) has the molecular formula C27H46FNO and a molecular weight of 419.67 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide
PubChem CID5283441
Molecular FormulaC27H46FNO
Molecular Weight419.67 g/mol
Exact Mass419.36
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)(C)C/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C27H46FNO/c1-5-6-18-21-27(3,4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h7,9-10,12-13,15-16,19,25H,5-6,8,11,14,17-18,20-24H2,1-4H3,(H,29,30)/b9-7-,12-10-,15-13-,19-16-
InChIKeyLCXOKJHEOHVYGG-BYKJYWHHSA-N
XLogP7.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.67
LogP ≤ 57.88
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)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide (CID 5283441) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide is CCCCCC(C)(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)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide?
The InChIKey is LCXOKJHEOHVYGG-BYKJYWHHSA-N. The full InChI is InChI=1S/C27H46FNO/c1-5-6-18-21-27(3,4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(2)26(30)29-24-23-28/h7,9-10,12-13,15-16,19,25H,5-6,8,11,14,17-18,20-24H2,1-4H3,(H,29,30)/b9-7-,12-10-,15-13-,19-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide has a molecular weight of 419.67 g/mol, XLogP of 7.88, 18 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)-2,17,17-trimethyldocosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).