(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene

C19H34FO2P — CID 137348608

IUPAC(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene
SMILESCCCCC/C=C/C/C=C\C/C=C\CCCCC[P@](=O)(F)OC
InChIInChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7+,11-10-,14-13-/t23-/m1/s1
InChIKeyPYIHGLSRUVHCML-UWAXMGSDSA-N
MW344.45 g/mol
LogP7.38
Rot. Bonds15

About (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene

(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene (PubChem CID 137348608) has the molecular formula C19H34FO2P and a molecular weight of 344.45 g/mol. Its IUPAC name is (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene.

Molecular Properties

Compound Name(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene
PubChem CID137348608
Molecular FormulaC19H34FO2P
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene
SMILESCCCCC/C=C/C/C=C\C/C=C\CCCCC[P@](=O)(F)OC
InChIInChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7+,11-10-,14-13-/t23-/m1/s1
InChIKeyPYIHGLSRUVHCML-UWAXMGSDSA-N
XLogP7.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 57.38
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene?
The IUPAC name of (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene (CID 137348608) is (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene.
What is the SMILES notation for (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene?
The canonical SMILES for (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene is CCCCC/C=C/C/C=C\C/C=C\CCCCC[P@](=O)(F)OC.
What is the InChIKey of (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene?
The InChIKey is PYIHGLSRUVHCML-UWAXMGSDSA-N. The full InChI is InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7+,11-10-,14-13-/t23-/m1/s1.
What are the key properties of (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene?
(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene has a molecular weight of 344.45 g/mol, XLogP of 7.38, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene is sourced from PubChem (CID 137348608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).