5-diethoxyphosphoryl-5,5-difluoropentan-2-one

C9H17F2O4P — CID 10355136

IUPAC5-diethoxyphosphoryl-5,5-difluoropentan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)CCC(C)=O
InChIInChI=1S/C9H17F2O4P/c1-4-14-16(13,15-5-2)9(10,11)7-6-8(3)12/h4-7H2,1-3H3
InChIKeyHNPKODOPSZRKCO-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.21
Rot. Bonds8

About 5-diethoxyphosphoryl-5,5-difluoropentan-2-one

5-diethoxyphosphoryl-5,5-difluoropentan-2-one (PubChem CID 10355136) has the molecular formula C9H17F2O4P and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-5,5-difluoropentan-2-one.

Molecular Properties

Compound Name5-diethoxyphosphoryl-5,5-difluoropentan-2-one
PubChem CID10355136
Molecular FormulaC9H17F2O4P
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name5-diethoxyphosphoryl-5,5-difluoropentan-2-one
SMILESCCOP(=O)(OCC)C(F)(F)CCC(C)=O
InChIInChI=1S/C9H17F2O4P/c1-4-14-16(13,15-5-2)9(10,11)7-6-8(3)12/h4-7H2,1-3H3
InChIKeyHNPKODOPSZRKCO-UHFFFAOYSA-N
XLogP3.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 53.21
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

Dimethyl (3,3-difluoro-2-oxoheptyl)phosphonate
CID 11118722
1-Dibutoxyphosphoryl-1,1-difluoropropan-2-one
CID 12954312
1-Dibutoxyphosphoryl-1,1-difluoro-3-methylbutan-2-one
CID 12954314
1-Dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
CID 11809352
2-Diethoxyphosphoryl-2-fluorocyclopentan-1-one
CID 12187446
3-Diethoxyphosphoryl-3-fluorobutan-2-one
CID 12187449
1-Dibutoxyphosphoryl-1,1,3,3,3-pentafluoropropan-2-one
CID 12954317
1-Diethoxyphosphoryl-1-fluorobutan-2-one
CID 14169140
Diethyl (3,3,4,4,5,5,5-Heptafluoro-2-oxopentyl)phosphonate
CID 134875289
1-Di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
CID 134875405
3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
3-Diethoxyphosphorylpentan-2-one
CID 10900195

Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-5,5-difluoropentan-2-one?
The IUPAC name of 5-diethoxyphosphoryl-5,5-difluoropentan-2-one (CID 10355136) is 5-diethoxyphosphoryl-5,5-difluoropentan-2-one.
What is the SMILES notation for 5-diethoxyphosphoryl-5,5-difluoropentan-2-one?
The canonical SMILES for 5-diethoxyphosphoryl-5,5-difluoropentan-2-one is CCOP(=O)(OCC)C(F)(F)CCC(C)=O.
What is the InChIKey of 5-diethoxyphosphoryl-5,5-difluoropentan-2-one?
The InChIKey is HNPKODOPSZRKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2O4P/c1-4-14-16(13,15-5-2)9(10,11)7-6-8(3)12/h4-7H2,1-3H3.
What are the key properties of 5-diethoxyphosphoryl-5,5-difluoropentan-2-one?
5-diethoxyphosphoryl-5,5-difluoropentan-2-one has a molecular weight of 258.20 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-5,5-difluoropentan-2-one is sourced from PubChem (CID 10355136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).