(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene

C19H38FO3P — CID 154714406

IUPAC(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
SMILESCCCCCCCCCCC(F)C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C19H38FO3P/c1-4-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24(21,22-5-2)23-6-3/h14-15,19H,4-13,16-18H2,1-3H3/b15-14+
InChIKeyYITBMXPCWVHBAW-CCEZHUSRSA-N
MW364.48 g/mol
LogP7.07
Rot. Bonds17

About (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene

(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene (PubChem CID 154714406) has the molecular formula C19H38FO3P and a molecular weight of 364.48 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
PubChem CID154714406
Molecular FormulaC19H38FO3P
Molecular Weight364.48 g/mol
Exact Mass364.25
IUPAC Name(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
SMILESCCCCCCCCCCC(F)C/C=C/CP(=O)(OCC)OCC
InChIInChI=1S/C19H38FO3P/c1-4-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24(21,22-5-2)23-6-3/h14-15,19H,4-13,16-18H2,1-3H3/b15-14+
InChIKeyYITBMXPCWVHBAW-CCEZHUSRSA-N
XLogP7.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.48
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene (CID 154714406) is (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene is CCCCCCCCCCC(F)C/C=C/CP(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene?
The InChIKey is YITBMXPCWVHBAW-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H38FO3P/c1-4-7-8-9-10-11-12-13-16-19(20)17-14-15-18-24(21,22-5-2)23-6-3/h14-15,19H,4-13,16-18H2,1-3H3/b15-14+.
What are the key properties of (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene?
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene has a molecular weight of 364.48 g/mol, XLogP of 7.07, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene is sourced from PubChem (CID 154714406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).