1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane

C10H20F4O6P2 — CID 10022267

IUPAC1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F4O6P2/c1-5-17-21(15,18-6-2)9(11,12)10(13,14)22(16,19-7-3)20-8-4/h5-8H2,1-4H3
InChIKeyVHKNCGJNEAVBNK-UHFFFAOYSA-N
MW374.20 g/mol
LogP4.70
Rot. Bonds11

About 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane

1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane (PubChem CID 10022267) has the molecular formula C10H20F4O6P2 and a molecular weight of 374.20 g/mol. Its IUPAC name is 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane
PubChem CID10022267
Molecular FormulaC10H20F4O6P2
Molecular Weight374.20 g/mol
Exact Mass374.07
IUPAC Name1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane
SMILESCCOP(=O)(OCC)C(F)(F)C(F)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H20F4O6P2/c1-5-17-21(15,18-6-2)9(11,12)10(13,14)22(16,19-7-3)20-8-4/h5-8H2,1-4H3
InChIKeyVHKNCGJNEAVBNK-UHFFFAOYSA-N
XLogP4.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane (CID 10022267) is 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane is CCOP(=O)(OCC)C(F)(F)C(F)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane?
The InChIKey is VHKNCGJNEAVBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F4O6P2/c1-5-17-21(15,18-6-2)9(11,12)10(13,14)22(16,19-7-3)20-8-4/h5-8H2,1-4H3.
What are the key properties of 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane?
1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane has a molecular weight of 374.20 g/mol, XLogP of 4.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(diethoxyphosphoryl)-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 10022267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).