1-dipropoxyphosphoryl-1,1-difluoropentan-3-one

C11H21F2O4P — CID 130456024

IUPAC1-dipropoxyphosphoryl-1,1-difluoropentan-3-one
SMILESCCCOP(=O)(OCCC)C(F)(F)CC(=O)CC
InChIInChI=1S/C11H21F2O4P/c1-4-7-16-18(15,17-8-5-2)11(12,13)9-10(14)6-3/h4-9H2,1-3H3
InChIKeyCKZMDNLNJHXBKE-UHFFFAOYSA-N
MW286.25 g/mol
LogP3.99
Rot. Bonds10

About 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one

1-dipropoxyphosphoryl-1,1-difluoropentan-3-one (PubChem CID 130456024) has the molecular formula C11H21F2O4P and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one.

Molecular Properties

Compound Name1-dipropoxyphosphoryl-1,1-difluoropentan-3-one
PubChem CID130456024
Molecular FormulaC11H21F2O4P
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Name1-dipropoxyphosphoryl-1,1-difluoropentan-3-one
SMILESCCCOP(=O)(OCCC)C(F)(F)CC(=O)CC
InChIInChI=1S/C11H21F2O4P/c1-4-7-16-18(15,17-8-5-2)11(12,13)9-10(14)6-3/h4-9H2,1-3H3
InChIKeyCKZMDNLNJHXBKE-UHFFFAOYSA-N
XLogP3.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 53.99
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

Diethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 10988630
1-Dibutoxyphosphoryl-1,1-difluoropropan-2-one
CID 12954312
1-Dibutoxyphosphoryl-1,1-difluoro-3-methylbutan-2-one
CID 12954314
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
2-Diethoxyphosphorylpentan-3-one
CID 13642670
(1,1-Difluoro-6-oxo-heptyl)-phosphonic acid diethyl ester
CID 10379227
5-Diethoxyphosphoryl-5,5-difluoropentan-2-one
CID 10355136

Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one?
The IUPAC name of 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one (CID 130456024) is 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one.
What is the SMILES notation for 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one?
The canonical SMILES for 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one is CCCOP(=O)(OCCC)C(F)(F)CC(=O)CC.
What is the InChIKey of 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one?
The InChIKey is CKZMDNLNJHXBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2O4P/c1-4-7-16-18(15,17-8-5-2)11(12,13)9-10(14)6-3/h4-9H2,1-3H3.
What are the key properties of 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one?
1-dipropoxyphosphoryl-1,1-difluoropentan-3-one has a molecular weight of 286.25 g/mol, XLogP of 3.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dipropoxyphosphoryl-1,1-difluoropentan-3-one is sourced from PubChem (CID 130456024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).