1-diethoxyphosphoryl-1-fluoropropane

C7H16FO3P — CID 10608002

IUPAC1-diethoxyphosphoryl-1-fluoropropane
SMILESCCOP(=O)(OCC)C(F)CC
InChIInChI=1S/C7H16FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeySLCNPCQTSDJSFB-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.96
Rot. Bonds6

About 1-diethoxyphosphoryl-1-fluoropropane

1-diethoxyphosphoryl-1-fluoropropane (PubChem CID 10608002) has the molecular formula C7H16FO3P and a molecular weight of 198.17 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoropropane.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoropropane
PubChem CID10608002
Molecular FormulaC7H16FO3P
Molecular Weight198.17 g/mol
Exact Mass198.08
IUPAC Name1-diethoxyphosphoryl-1-fluoropropane
SMILESCCOP(=O)(OCC)C(F)CC
InChIInChI=1S/C7H16FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3
InChIKeySLCNPCQTSDJSFB-UHFFFAOYSA-N
XLogP2.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.96
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-fluoropropane?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoropropane (CID 10608002) is 1-diethoxyphosphoryl-1-fluoropropane.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoropropane?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoropropane is CCOP(=O)(OCC)C(F)CC.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoropropane?
The InChIKey is SLCNPCQTSDJSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO3P/c1-4-7(8)12(9,10-5-2)11-6-3/h7H,4-6H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoropropane?
1-diethoxyphosphoryl-1-fluoropropane has a molecular weight of 198.17 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoropropane is sourced from PubChem (CID 10608002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).