1-diethoxyphosphoryl-1-fluoroethane

C6H14FO3P — CID 10511689

IUPAC1-diethoxyphosphoryl-1-fluoroethane
SMILESCCOP(=O)(OCC)C(C)F
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3
InChIKeyQVRDFHQKWWYMPE-UHFFFAOYSA-N
MW184.15 g/mol
LogP2.57
Rot. Bonds5

About 1-diethoxyphosphoryl-1-fluoroethane

1-diethoxyphosphoryl-1-fluoroethane (PubChem CID 10511689) has the molecular formula C6H14FO3P and a molecular weight of 184.15 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoroethane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoroethane
PubChem CID10511689
Molecular FormulaC6H14FO3P
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name1-diethoxyphosphoryl-1-fluoroethane
SMILESCCOP(=O)(OCC)C(C)F
InChIInChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3
InChIKeyQVRDFHQKWWYMPE-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-diethoxyphosphoryl-1-fluoroethane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoroethane (CID 10511689) is 1-diethoxyphosphoryl-1-fluoroethane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoroethane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoroethane is CCOP(=O)(OCC)C(C)F.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoroethane?
The InChIKey is QVRDFHQKWWYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FO3P/c1-4-9-11(8,6(3)7)10-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoroethane?
1-diethoxyphosphoryl-1-fluoroethane has a molecular weight of 184.15 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoroethane is sourced from PubChem (CID 10511689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).