(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide

C23H38FNO — CID 87240062

IUPAC(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CC(F)C(N)=O
InChIInChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(24)23(25)26/h7-8,10-11,13-14,16-17,21-22H,3-6,9,12,15,18-20H2,1-2H3,(H2,25,26)/b8-7-,11-10-,14-13-,17-16-
InChIKeyRDCFCDNEJHIREL-ZKWNWVNESA-N
MW363.56 g/mol
LogP6.59
Rot. Bonds16

About (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide

(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide (PubChem CID 87240062) has the molecular formula C23H38FNO and a molecular weight of 363.56 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide
PubChem CID87240062
Molecular FormulaC23H38FNO
Molecular Weight363.56 g/mol
Exact Mass363.29
IUPAC Name(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CC(F)C(N)=O
InChIInChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(24)23(25)26/h7-8,10-11,13-14,16-17,21-22H,3-6,9,12,15,18-20H2,1-2H3,(H2,25,26)/b8-7-,11-10-,14-13-,17-16-
InChIKeyRDCFCDNEJHIREL-ZKWNWVNESA-N
XLogP6.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.56
LogP ≤ 56.59
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 (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide?
The IUPAC name of (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide (CID 87240062) is (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide.
What is the SMILES notation for (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide?
The canonical SMILES for (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CC(F)C(N)=O.
What is the InChIKey of (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide?
The InChIKey is RDCFCDNEJHIREL-ZKWNWVNESA-N. The full InChI is InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22(24)23(25)26/h7-8,10-11,13-14,16-17,21-22H,3-6,9,12,15,18-20H2,1-2H3,(H2,25,26)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide?
(7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide has a molecular weight of 363.56 g/mol, XLogP of 6.59, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z)-2-fluoro-4-methyldocosa-7,10,13,16-tetraenamide is sourced from PubChem (CID 87240062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).