(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene

C21H35F — CID 159191741

IUPAC(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCF
InChIInChI=1S/C21H35F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-21H2,1H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyKOECXXSKSMRPGS-ZKWNWVNESA-N
MW306.51 g/mol
LogP7.49
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene

(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene (PubChem CID 159191741) has the molecular formula C21H35F and a molecular weight of 306.51 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene
PubChem CID159191741
Molecular FormulaC21H35F
Molecular Weight306.51 g/mol
Exact Mass306.27
IUPAC Name(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene
SMILESCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCF
InChIInChI=1S/C21H35F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-21H2,1H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyKOECXXSKSMRPGS-ZKWNWVNESA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.51
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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heptadeca-5,8,11-triene
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hexadeca-3,6,9-triene
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docosa-4,7,11-triene
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(3Z,12Z,15Z)-tricosa-3,12,15-triene
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CID 158472719

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene?
The IUPAC name of (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene (CID 159191741) is (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene?
The canonical SMILES for (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene is CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene?
The InChIKey is KOECXXSKSMRPGS-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H35F/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h7-8,10-11,13-14,16-17H,2-6,9,12,15,18-21H2,1H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene?
(5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene has a molecular weight of 306.51 g/mol, XLogP of 7.49, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-1-fluorohenicosa-5,8,11,14-tetraene is sourced from PubChem (CID 159191741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).