(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate

C9H16F4O7P2 — CID 573701

IUPAC(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(=C(F)P(=O)(OC)OC)C(F)(F)F
InChIInChI=1S/C9H16F4O7P2/c1-5-18-22(15,19-6-2)20-7(9(11,12)13)8(10)21(14,16-3)17-4/h5-6H2,1-4H3
InChIKeyJCYPNNGTJZODQE-UHFFFAOYSA-N
MW374.16 g/mol
LogP4.37
Rot. Bonds9

About (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate

(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate (PubChem CID 573701) has the molecular formula C9H16F4O7P2 and a molecular weight of 374.16 g/mol. Its IUPAC name is (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate.

Molecular Properties

Compound Name(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate
PubChem CID573701
Molecular FormulaC9H16F4O7P2
Molecular Weight374.16 g/mol
Exact Mass374.03
IUPAC Name(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate
SMILESCCOP(=O)(OCC)OC(=C(F)P(=O)(OC)OC)C(F)(F)F
InChIInChI=1S/C9H16F4O7P2/c1-5-18-22(15,19-6-2)20-7(9(11,12)13)8(10)21(14,16-3)17-4/h5-6H2,1-4H3
InChIKeyJCYPNNGTJZODQE-UHFFFAOYSA-N
XLogP4.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate?
The IUPAC name of (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate (CID 573701) is (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate.
What is the SMILES notation for (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate?
The canonical SMILES for (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate is CCOP(=O)(OCC)OC(=C(F)P(=O)(OC)OC)C(F)(F)F.
What is the InChIKey of (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate?
The InChIKey is JCYPNNGTJZODQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O7P2/c1-5-18-22(15,19-6-2)20-7(9(11,12)13)8(10)21(14,16-3)17-4/h5-6H2,1-4H3.
What are the key properties of (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate?
(1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate has a molecular weight of 374.16 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate is sourced from PubChem (CID 573701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).