1-dimethoxyphosphoryl-3,3-difluorohexan-2-one

C8H15F2O4P — CID 54573936

IUPAC1-dimethoxyphosphoryl-3,3-difluorohexan-2-one
SMILESCCCC(F)(F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C8H15F2O4P/c1-4-5-8(9,10)7(11)6-15(12,13-2)14-3/h4-6H2,1-3H3
InChIKeyZZGBXWHODPHSTE-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.48
Rot. Bonds7

About 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one

1-dimethoxyphosphoryl-3,3-difluorohexan-2-one (PubChem CID 54573936) has the molecular formula C8H15F2O4P and a molecular weight of 244.17 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3,3-difluorohexan-2-one
PubChem CID54573936
Molecular FormulaC8H15F2O4P
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name1-dimethoxyphosphoryl-3,3-difluorohexan-2-one
SMILESCCCC(F)(F)C(=O)CP(=O)(OC)OC
InChIInChI=1S/C8H15F2O4P/c1-4-5-8(9,10)7(11)6-15(12,13-2)14-3/h4-6H2,1-3H3
InChIKeyZZGBXWHODPHSTE-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.48
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-Dimethoxyphosphoryl-3,3,4,4,5,5,5-heptafluoropentan-2-one
CID 11809352
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
Dimethyl (2-oxohexyl)phosphonate
CID 10889105
(1,1-Difluoro-6-oxo-heptyl)-phosphonic acid diethyl ester
CID 10379227
5-Diethoxyphosphoryl-5,5-difluoropentan-2-one
CID 10355136
Dimethyl (3-fluoro-2-oxoheptyl)phosphonate
CID 13245337
(3,3-Difluoro-2-oxoheptyl)phosphonic acid
CID 19078530
(3,3-Difluoro-2-oxohexyl)phosphonic acid
CID 19088811
Dimethyl (3,3-difluoro-2-oxononyl)phosphonate
CID 20492170
1-Dimethoxyphosphoryl-3-fluoropentan-2-one
CID 21522850

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one?
The IUPAC name of 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one (CID 54573936) is 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one.
What is the SMILES notation for 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one?
The canonical SMILES for 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one is CCCC(F)(F)C(=O)CP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one?
The InChIKey is ZZGBXWHODPHSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O4P/c1-4-5-8(9,10)7(11)6-15(12,13-2)14-3/h4-6H2,1-3H3.
What are the key properties of 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one?
1-dimethoxyphosphoryl-3,3-difluorohexan-2-one has a molecular weight of 244.17 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3,3-difluorohexan-2-one is sourced from PubChem (CID 54573936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).