1-dipropoxyphosphoryl-1,1-difluoropropan-2-one

C9H17F2O4P — CID 121429386

IUPAC1-dipropoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCCCOP(=O)(OCCC)C(F)(F)C(C)=O
InChIInChI=1S/C9H17F2O4P/c1-4-6-14-16(13,15-7-5-2)9(10,11)8(3)12/h4-7H2,1-3H3
InChIKeyCJPVTRKHEDLTRP-UHFFFAOYSA-N
MW258.20 g/mol
LogP3.21
Rot. Bonds8

About 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one

1-dipropoxyphosphoryl-1,1-difluoropropan-2-one (PubChem CID 121429386) has the molecular formula C9H17F2O4P and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name1-dipropoxyphosphoryl-1,1-difluoropropan-2-one
PubChem CID121429386
Molecular FormulaC9H17F2O4P
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name1-dipropoxyphosphoryl-1,1-difluoropropan-2-one
SMILESCCCOP(=O)(OCCC)C(F)(F)C(C)=O
InChIInChI=1S/C9H17F2O4P/c1-4-6-14-16(13,15-7-5-2)9(10,11)8(3)12/h4-7H2,1-3H3
InChIKeyCJPVTRKHEDLTRP-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

Tetraisopropyl Difluoromethylenebisphosphonate
CID 11717839
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
Dimethyl (3,3,3-trifluoro-2-oxopropyl)phosphonate
CID 57624845
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
3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-one
CID 134894233
4-Diethoxyphosphoryl-1,1,1-trifluorobut-3-yn-2-one
CID 164668429
5-Diethoxyphosphoryl-5,5-difluoropentan-2-one
CID 10355136
3-Diethoxyphosphoryl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-one
CID 13267238

Frequently Asked Questions

What is the IUPAC name of 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one?
The IUPAC name of 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one (CID 121429386) is 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one.
What is the SMILES notation for 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one?
The canonical SMILES for 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one is CCCOP(=O)(OCCC)C(F)(F)C(C)=O.
What is the InChIKey of 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one?
The InChIKey is CJPVTRKHEDLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2O4P/c1-4-6-14-16(13,15-7-5-2)9(10,11)8(3)12/h4-7H2,1-3H3.
What are the key properties of 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one?
1-dipropoxyphosphoryl-1,1-difluoropropan-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 1-dipropoxyphosphoryl-1,1-difluoropropan-2-one is sourced from PubChem (CID 121429386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).