(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene

C13H26FO3P — CID 15449246

IUPAC(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
SMILESCCCCCC/C=C/C(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H26FO3P/c1-4-7-8-9-10-11-12-13(14)18(15,16-5-2)17-6-3/h11-13H,4-10H2,1-3H3/b12-11+
InChIKeyLUBPULDCTGZJFZ-VAWYXSNFSA-N
MW280.32 g/mol
LogP5.07
Rot. Bonds11

About (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene

(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene (PubChem CID 15449246) has the molecular formula C13H26FO3P and a molecular weight of 280.32 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
PubChem CID15449246
Molecular FormulaC13H26FO3P
Molecular Weight280.32 g/mol
Exact Mass280.16
IUPAC Name(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
SMILESCCCCCC/C=C/C(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H26FO3P/c1-4-7-8-9-10-11-12-13(14)18(15,16-5-2)17-6-3/h11-13H,4-10H2,1-3H3/b12-11+
InChIKeyLUBPULDCTGZJFZ-VAWYXSNFSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.32
LogP ≤ 55.07
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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Related Compounds

(Z)-1-[ethoxy(fluoro)phosphoryl]octadec-8-ene
CID 44589212
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
Diethyl undec-10-en-1-ylphosphonate
CID 23420214
(E)-1-diethoxyphosphoryl-3-fluorohex-1-ene
CID 11322355
(E)-1-diethoxyphosphoryl-5-fluoropentadec-2-ene
CID 154714406
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
6-Diethoxyphosphorylhept-1-ene
CID 85795853
1-Diethoxyphosphorylcyclohexene
CID 10560750
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene (CID 15449246) is (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene is CCCCCC/C=C/C(F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene?
The InChIKey is LUBPULDCTGZJFZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H26FO3P/c1-4-7-8-9-10-11-12-13(14)18(15,16-5-2)17-6-3/h11-13H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene?
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene has a molecular weight of 280.32 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1-fluoronon-2-ene is sourced from PubChem (CID 15449246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).