3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one

C7H11F4O4P — CID 51350832

IUPAC3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F4O4P/c1-3-14-16(13,15-4-2)6(8)5(12)7(9,10)11/h6H,3-4H2,1-2H3
InChIKeyJYBAEAARBMOLHD-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.68
Rot. Bonds6

About 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one

3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one (PubChem CID 51350832) has the molecular formula C7H11F4O4P and a molecular weight of 266.13 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
PubChem CID51350832
Molecular FormulaC7H11F4O4P
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one
SMILESCCOP(=O)(OCC)C(F)C(=O)C(F)(F)F
InChIInChI=1S/C7H11F4O4P/c1-3-14-16(13,15-4-2)6(8)5(12)7(9,10)11/h6H,3-4H2,1-2H3
InChIKeyJYBAEAARBMOLHD-UHFFFAOYSA-N
XLogP2.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.68
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

2,2,2-trifluoro-N-[(1S)-2,2,2-trichloro-1-diethoxyphosphorylethyl]acetamide
CID 2325317
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
2-diethoxyphosphoryl-1,1,1,3,3,3-hexafluoropropane
CID 12757470
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
phenyl 2-diethoxyphosphoryl-2-fluoroacetate
CID 10979130
2-[2,2-bis(diethoxyphosphoryl)ethyl]propanedioic acid
CID 23283927
diethoxy(methyl)phosphane;ethyl 2-bromo-2-fluoroacetate;ethyl 2-diethoxyphosphoryl-2-fluoroacetate
CID 157475406
(1-diethoxyphosphoryl-2,2,2-trifluoroethyl) diethyl phosphate
CID 13026280
tert-butyl 2-amino-2-diethoxyphosphorylacetate
CID 10945397
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one?
The IUPAC name of 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one (CID 51350832) is 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one is CCOP(=O)(OCC)C(F)C(=O)C(F)(F)F.
What is the InChIKey of 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one?
The InChIKey is JYBAEAARBMOLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4O4P/c1-3-14-16(13,15-4-2)6(8)5(12)7(9,10)11/h6H,3-4H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one?
3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one has a molecular weight of 266.13 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-1,1,1,3-tetrafluoropropan-2-one is sourced from PubChem (CID 51350832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).