1,1-bis(diethoxyphosphoryl)-1-fluoroethane

C10H23FO6P2 — CID 11034548

IUPAC1,1-bis(diethoxyphosphoryl)-1-fluoroethane
SMILESCCOP(=O)(OCC)C(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H23FO6P2/c1-6-14-18(12,15-7-2)10(5,11)19(13,16-8-3)17-9-4/h6-9H2,1-5H3
InChIKeyIHRFDFJMRCESDJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.16
Rot. Bonds10

About 1,1-bis(diethoxyphosphoryl)-1-fluoroethane

1,1-bis(diethoxyphosphoryl)-1-fluoroethane (PubChem CID 11034548) has the molecular formula C10H23FO6P2 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1,1-bis(diethoxyphosphoryl)-1-fluoroethane.

Molecular Properties

Compound Name1,1-bis(diethoxyphosphoryl)-1-fluoroethane
PubChem CID11034548
Molecular FormulaC10H23FO6P2
Molecular Weight320.23 g/mol
Exact Mass320.10
IUPAC Name1,1-bis(diethoxyphosphoryl)-1-fluoroethane
SMILESCCOP(=O)(OCC)C(C)(F)P(=O)(OCC)OCC
InChIInChI=1S/C10H23FO6P2/c1-6-14-18(12,15-7-2)10(5,11)19(13,16-8-3)17-9-4/h6-9H2,1-5H3
InChIKeyIHRFDFJMRCESDJ-UHFFFAOYSA-N
XLogP4.16
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(diethoxyphosphoryl)-1-fluoroethane?
The IUPAC name of 1,1-bis(diethoxyphosphoryl)-1-fluoroethane (CID 11034548) is 1,1-bis(diethoxyphosphoryl)-1-fluoroethane.
What is the SMILES notation for 1,1-bis(diethoxyphosphoryl)-1-fluoroethane?
The canonical SMILES for 1,1-bis(diethoxyphosphoryl)-1-fluoroethane is CCOP(=O)(OCC)C(C)(F)P(=O)(OCC)OCC.
What is the InChIKey of 1,1-bis(diethoxyphosphoryl)-1-fluoroethane?
The InChIKey is IHRFDFJMRCESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FO6P2/c1-6-14-18(12,15-7-2)10(5,11)19(13,16-8-3)17-9-4/h6-9H2,1-5H3.
What are the key properties of 1,1-bis(diethoxyphosphoryl)-1-fluoroethane?
1,1-bis(diethoxyphosphoryl)-1-fluoroethane has a molecular weight of 320.23 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(diethoxyphosphoryl)-1-fluoroethane is sourced from PubChem (CID 11034548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).