1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one

C7H8F7O4P — CID 11809352

IUPAC1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
SMILESCOP(=O)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C7H8F7O4P/c1-17-19(16,18-2)3-4(15)5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3
InChIKeyQPZSMGZMVFRDKD-UHFFFAOYSA-N
MW320.10 g/mol
LogP2.87
Rot. Bonds6

About 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one

1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one (PubChem CID 11809352) has the molecular formula C7H8F7O4P and a molecular weight of 320.10 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
PubChem CID11809352
Molecular FormulaC7H8F7O4P
Molecular Weight320.10 g/mol
Exact Mass320.00
IUPAC Name1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
SMILESCOP(=O)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C7H8F7O4P/c1-17-19(16,18-2)3-4(15)5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3
InChIKeyQPZSMGZMVFRDKD-UHFFFAOYSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 10988630
Dimethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 57624845
Phosphonic acid, (2-oxopentyl)-, dimethyl ester
CID 11629756
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
5-Diethoxyphosphoryl-5,5-difluoropentan-2-one
CID 10355136
1-Methyl-2-oxopropylphosphonic acid bis(2,2,2-trifluoroethyl) ester
CID 11001592
2-Oxopropylphosphonic acid bis(2,2,2-trifluoroethyl) ester
CID 11023032
1-Dimethoxyphosphoryl-3-fluoropentan-2-one
CID 21522850
1-[Bis(2,2,2-trifluoroethoxy)phosphoryl]butan-2-one
CID 23404663
1-Dimethoxyphosphoryl-3,3-difluorohexan-2-one
CID 54573936
1-[Bis(trifluoromethoxy)phosphoryl]propan-2-one
CID 87462646

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one (CID 11809352) is 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one is COP(=O)(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
The InChIKey is QPZSMGZMVFRDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F7O4P/c1-17-19(16,18-2)3-4(15)5(8,9)6(10,11)7(12,13)14/h3H2,1-2H3.
What are the key properties of 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one?
1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one has a molecular weight of 320.10 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one is sourced from PubChem (CID 11809352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).