1-diethoxyphosphoryl-1-fluoropropan-2-one

C7H14FO4P — CID 10632307

IUPAC1-diethoxyphosphoryl-1-fluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)C(C)=O
InChIInChI=1S/C7H14FO4P/c1-4-11-13(10,12-5-2)7(8)6(3)9/h7H,4-5H2,1-3H3
InChIKeyKPEDFUGIHURDBB-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.14
Rot. Bonds6

About 1-diethoxyphosphoryl-1-fluoropropan-2-one

1-diethoxyphosphoryl-1-fluoropropan-2-one (PubChem CID 10632307) has the molecular formula C7H14FO4P and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-1-fluoropropan-2-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-1-fluoropropan-2-one
PubChem CID10632307
Molecular FormulaC7H14FO4P
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name1-diethoxyphosphoryl-1-fluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)C(C)=O
InChIInChI=1S/C7H14FO4P/c1-4-11-13(10,12-5-2)7(8)6(3)9/h7H,4-5H2,1-3H3
InChIKeyKPEDFUGIHURDBB-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-fluoropropan-2-one?
The IUPAC name of 1-diethoxyphosphoryl-1-fluoropropan-2-one (CID 10632307) is 1-diethoxyphosphoryl-1-fluoropropan-2-one.
What is the SMILES notation for 1-diethoxyphosphoryl-1-fluoropropan-2-one?
The canonical SMILES for 1-diethoxyphosphoryl-1-fluoropropan-2-one is CCOP(=O)(OCC)C(F)C(C)=O.
What is the InChIKey of 1-diethoxyphosphoryl-1-fluoropropan-2-one?
The InChIKey is KPEDFUGIHURDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO4P/c1-4-11-13(10,12-5-2)7(8)6(3)9/h7H,4-5H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-1-fluoropropan-2-one?
1-diethoxyphosphoryl-1-fluoropropan-2-one has a molecular weight of 212.16 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-1-fluoropropan-2-one is sourced from PubChem (CID 10632307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).