1-diethoxyphosphoryl-3-fluoropropan-1-one

C7H14FO4P — CID 71349176

IUPAC1-diethoxyphosphoryl-3-fluoropropan-1-one
SMILESCCOP(=O)(OCC)C(=O)CCF
InChIInChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(9)5-6-8/h3-6H2,1-2H3
InChIKeyLVJIEYCWTMCIQJ-UHFFFAOYSA-N
MW212.16 g/mol
LogP2.14
Rot. Bonds7

About 1-diethoxyphosphoryl-3-fluoropropan-1-one

1-diethoxyphosphoryl-3-fluoropropan-1-one (PubChem CID 71349176) has the molecular formula C7H14FO4P and a molecular weight of 212.16 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3-fluoropropan-1-one.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3-fluoropropan-1-one
PubChem CID71349176
Molecular FormulaC7H14FO4P
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name1-diethoxyphosphoryl-3-fluoropropan-1-one
SMILESCCOP(=O)(OCC)C(=O)CCF
InChIInChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(9)5-6-8/h3-6H2,1-2H3
InChIKeyLVJIEYCWTMCIQJ-UHFFFAOYSA-N
XLogP2.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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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Related Compounds

(E)-1,2-bis(diethoxyphosphoryl)-1,2-difluoroethene
CID 14115301
bis(diethoxyphosphoryl)methanimine
CID 87803281
(E)-4-diethoxyphosphorylpent-3-en-2-one
CID 12505979
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349
diethoxyphosphorylcarbonyl(trihydroxy)phosphanium
CID 57080631
(E)-1-diethoxyphosphoryl-1-fluoro-2,3-diiodoprop-1-ene
CID 10789609
2-diethoxyphosphorylpent-1-ene
CID 11844671
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
1-chloro-1-diethoxyphosphorylethene
CID 11481045
1-dimethoxyphosphorylbutan-1-one
CID 15685100
(E)-4-diethoxyphosphorylpent-3-enoate
CID 23615139

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-3-fluoropropan-1-one?
The IUPAC name of 1-diethoxyphosphoryl-3-fluoropropan-1-one (CID 71349176) is 1-diethoxyphosphoryl-3-fluoropropan-1-one.
What is the SMILES notation for 1-diethoxyphosphoryl-3-fluoropropan-1-one?
The canonical SMILES for 1-diethoxyphosphoryl-3-fluoropropan-1-one is CCOP(=O)(OCC)C(=O)CCF.
What is the InChIKey of 1-diethoxyphosphoryl-3-fluoropropan-1-one?
The InChIKey is LVJIEYCWTMCIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FO4P/c1-3-11-13(10,12-4-2)7(9)5-6-8/h3-6H2,1-2H3.
What are the key properties of 1-diethoxyphosphoryl-3-fluoropropan-1-one?
1-diethoxyphosphoryl-3-fluoropropan-1-one has a molecular weight of 212.16 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3-fluoropropan-1-one is sourced from PubChem (CID 71349176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).