2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene

C13H25F2O3P — CID 10709179

IUPAC2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene
SMILESC=C(CCCCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H25F2O3P/c1-5-8-9-10-11-12(4)13(14,15)19(16,17-6-2)18-7-3/h4-11H2,1-3H3
InChIKeyGPYSDCPIDHHKRW-UHFFFAOYSA-N
MW298.31 g/mol
LogP5.37
Rot. Bonds11

About 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene

2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene (PubChem CID 10709179) has the molecular formula C13H25F2O3P and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene.

Molecular Properties

Compound Name2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene
PubChem CID10709179
Molecular FormulaC13H25F2O3P
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene
SMILESC=C(CCCCCC)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C13H25F2O3P/c1-5-8-9-10-11-12(4)13(14,15)19(16,17-6-2)18-7-3/h4-11H2,1-3H3
InChIKeyGPYSDCPIDHHKRW-UHFFFAOYSA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 55.37
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

(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175713391
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-2-methyloct-1-ene
CID 10849072
Dec-1-en-2-yl-ethoxy-oxophosphanium
CID 134992985
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
CID 11403641
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]cyclohexane
CID 101841951
(E)-1-diethoxyphosphoryl-2-(trifluoromethyl)but-1-ene
CID 101841956

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene?
The IUPAC name of 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene (CID 10709179) is 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene.
What is the SMILES notation for 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene?
The canonical SMILES for 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene is C=C(CCCCCC)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene?
The InChIKey is GPYSDCPIDHHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2O3P/c1-5-8-9-10-11-12(4)13(14,15)19(16,17-6-2)18-7-3/h4-11H2,1-3H3.
What are the key properties of 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene?
2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene has a molecular weight of 298.31 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxyphosphoryl(difluoro)methyl]oct-1-ene is sourced from PubChem (CID 10709179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).