ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane

C7H11F6O3P — CID 13115973

IUPACethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane
SMILESCCOP(OC)(OC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-4-16-17(14-2,15-3)5(6(8,9)10)7(11,12)13/h4H2,1-3H3
InChIKeyAOQNKSSQVWKZMK-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.38
Rot. Bonds4

About ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane

ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane (PubChem CID 13115973) has the molecular formula C7H11F6O3P and a molecular weight of 288.12 g/mol. Its IUPAC name is ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane
PubChem CID13115973
Molecular FormulaC7H11F6O3P
Molecular Weight288.12 g/mol
Exact Mass288.04
IUPAC Nameethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane
SMILESCCOP(OC)(OC)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6O3P/c1-4-16-17(14-2,15-3)5(6(8,9)10)7(11,12)13/h4H2,1-3H3
InChIKeyAOQNKSSQVWKZMK-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Phosphonic acid, (difluoromethyl)-, diethyl ester
CID 2758305
Bis(2,2,2-trifluoroethyl) methylphosphonate
CID 3625610
Phosphite, tris(2,2,3,3-tetrafluoropropyl)-
CID 137513
Trifluoromethylphosphonic acid diethyl ester
CID 12503717
(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)(trimethoxy)-lambda~5~-phosphane
CID 12614993
Triethoxy(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-lambda~5~-phosphane
CID 12732919
Diethyl (1,1,3,3,3-pentafluoroprop-1-en-2-yl)phosphonate
CID 12757471
Tetrakis(2,2,3,3-tetrafluoropropoxy)methylphosphorane
CID 14893552
Bis-trifluoromethyl Ethylphosphonate
CID 4574247
1-Diethoxyphosphoryl-1,1-difluoroethane
CID 13736768
Diethyl 2,2,2-trifluoroethyl phosphite
CID 13807268
Ethyl bis(2,2,2-trifluoroethyl) phosphite
CID 58040759

Frequently Asked Questions

What is the IUPAC name of ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane?
The IUPAC name of ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane (CID 13115973) is ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane.
What is the SMILES notation for ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane?
The canonical SMILES for ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane is CCOP(OC)(OC)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane?
The InChIKey is AOQNKSSQVWKZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6O3P/c1-4-16-17(14-2,15-3)5(6(8,9)10)7(11,12)13/h4H2,1-3H3.
What are the key properties of ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane?
ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane has a molecular weight of 288.12 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-dimethoxy-lambda5-phosphane is sourced from PubChem (CID 13115973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).