(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene

C11H21F2O3P — CID 10539959

IUPAC(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene
SMILESCCCC/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H21F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h9-10H,4-8H2,1-3H3/b10-9+
InChIKeyDNNCZPPVEFFWLM-MDZDMXLPSA-N
MW270.26 g/mol
LogP4.59
Rot. Bonds9

About (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene

(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene (PubChem CID 10539959) has the molecular formula C11H21F2O3P and a molecular weight of 270.26 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene
PubChem CID10539959
Molecular FormulaC11H21F2O3P
Molecular Weight270.26 g/mol
Exact Mass270.12
IUPAC Name(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene
SMILESCCCC/C=C/C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C11H21F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h9-10H,4-8H2,1-3H3/b10-9+
InChIKeyDNNCZPPVEFFWLM-MDZDMXLPSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 54.59
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

1-[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enoxy]butane
CID 11637796
(E)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 11090556
1,1,1-trifluorohept-2-ene
CID 2782636
1-diethoxyphosphoryl-1,1-difluorohexane
CID 10445215
[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]cyclohexane
CID 122370470
diethyl hydrogen phosphate;non-4-ene
CID 175929703
1-[(E)-3-diethoxyphosphoryl-3,3-difluoroprop-1-enyl]-4-fluorobenzene
CID 101098384
tributyl-[diethoxyphosphoryl(difluoro)methyl]phosphanium
CID 71317741
1-bromo-2-diethoxyphosphoryl-1,1,2,2-tetrafluoroethane
CID 11130909
1-diethoxyphosphoryl-1,1-difluorohept-2-yne
CID 11737242
1-diethoxyphosphoryl-1,1-difluoro-2-methylundecane
CID 15272233
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene (CID 10539959) is (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene is CCCC/C=C/C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene?
The InChIKey is DNNCZPPVEFFWLM-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H21F2O3P/c1-4-7-8-9-10-11(12,13)17(14,15-5-2)16-6-3/h9-10H,4-8H2,1-3H3/b10-9+.
What are the key properties of (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene?
(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene has a molecular weight of 270.26 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene is sourced from PubChem (CID 10539959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).