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

C26H44FNO — CID 58682994

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C26H44FNO/c1-5-6-17-20-26(3,4)21-18-15-13-11-9-7-8-10-12-14-16-19-24(2)25(29)28-23-22-27/h7-8,11-14,18,21,24H,5-6,9-10,15-17,19-20,22-23H2,1-4H3,(H,28,29)/b8-7-,13-11-,14-12-,21-18-
InChIKeyGZUPVOKRMCLJLX-GTIIYDKQSA-N
MW405.64 g/mol
LogP7.49
Rot. Bonds17

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

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide (PubChem CID 58682994) 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)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide
PubChem CID58682994
Molecular FormulaC26H44FNO
Molecular Weight405.64 g/mol
Exact Mass405.34
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide
SMILESCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCC(C)C(=O)NCCF
InChIInChI=1S/C26H44FNO/c1-5-6-17-20-26(3,4)21-18-15-13-11-9-7-8-10-12-14-16-19-24(2)25(29)28-23-22-27/h7-8,11-14,18,21,24H,5-6,9-10,15-17,19-20,22-23H2,1-4H3,(H,28,29)/b8-7-,13-11-,14-12-,21-18-
InChIKeyGZUPVOKRMCLJLX-GTIIYDKQSA-N
XLogP7.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.64
LogP ≤ 57.49
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-trimethylhenicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide (CID 58682994) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide is CCCCCC(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-trimethylhenicosa-5,8,11,14-tetraenamide?
The InChIKey is GZUPVOKRMCLJLX-GTIIYDKQSA-N. The full InChI is InChI=1S/C26H44FNO/c1-5-6-17-20-26(3,4)21-18-15-13-11-9-7-8-10-12-14-16-19-24(2)25(29)28-23-22-27/h7-8,11-14,18,21,24H,5-6,9-10,15-17,19-20,22-23H2,1-4H3,(H,28,29)/b8-7-,13-11-,14-12-,21-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2,16,16-trimethylhenicosa-5,8,11,14-tetraenamide has a molecular weight of 405.64 g/mol, XLogP of 7.49, 17 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-trimethylhenicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 58682994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).