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

C26H44FNO — CID 5283443

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyGHGKPXOUKZEHPZ-AILJCPQKSA-N
MW405.64 g/mol
LogP7.63
Rot. Bonds19

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

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide (PubChem CID 5283443) has the molecular formula C26H44FNO and a molecular weight of 405.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide
PubChem CID5283443
Molecular FormulaC26H44FNO
Molecular Weight405.64 g/mol
Exact Mass405.34
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-
InChIKeyGHGKPXOUKZEHPZ-AILJCPQKSA-N
XLogP7.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.64
LogP ≤ 57.63
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-methyltricosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide (CID 5283443) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide is CCCCCCCC/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-methyltricosa-5,8,11,14-tetraenamide?
The InChIKey is GHGKPXOUKZEHPZ-AILJCPQKSA-N. The full InChI is InChI=1S/C26H44FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(2)26(29)28-24-23-27/h10-11,13-14,16-17,19-20,25H,3-9,12,15,18,21-24H2,1-2H3,(H,28,29)/b11-10-,14-13-,17-16-,20-19-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methyltricosa-5,8,11,14-tetraenamide has a molecular weight of 405.64 g/mol, XLogP of 7.63, 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-methyltricosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).