(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride

C20H33FO2S — CID 10066884

IUPAC(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCS(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyFUMBQHYWMFCKTB-DOFZRALJSA-N
MW356.55 g/mol
LogP6.43
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride

(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride (PubChem CID 10066884) has the molecular formula C20H33FO2S and a molecular weight of 356.55 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride
PubChem CID10066884
Molecular FormulaC20H33FO2S
Molecular Weight356.55 g/mol
Exact Mass356.22
IUPAC Name(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCS(=O)(=O)F
InChIInChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyFUMBQHYWMFCKTB-DOFZRALJSA-N
XLogP6.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride?
The IUPAC name of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride (CID 10066884) is (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride?
The canonical SMILES for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCS(=O)(=O)F.
What is the InChIKey of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride?
The InChIKey is FUMBQHYWMFCKTB-DOFZRALJSA-N. The full InChI is InChI=1S/C20H33FO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(21,22)23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride?
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride has a molecular weight of 356.55 g/mol, XLogP of 6.43, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene-1-sulfonyl fluoride is sourced from PubChem (CID 10066884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).