4-dipropoxyphosphoryl-4,4-difluorobutan-2-one

C10H19F2O4P — CID 121429465

IUPAC4-dipropoxyphosphoryl-4,4-difluorobutan-2-one
SMILESCCCOP(=O)(OCCC)C(F)(F)CC(C)=O
InChIInChI=1S/C10H19F2O4P/c1-4-6-15-17(14,16-7-5-2)10(11,12)8-9(3)13/h4-8H2,1-3H3
InChIKeyLAVWOFAJVMHYLY-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.60
Rot. Bonds9

About 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one

4-dipropoxyphosphoryl-4,4-difluorobutan-2-one (PubChem CID 121429465) has the molecular formula C10H19F2O4P and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one.

Molecular Properties

Compound Name4-dipropoxyphosphoryl-4,4-difluorobutan-2-one
PubChem CID121429465
Molecular FormulaC10H19F2O4P
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name4-dipropoxyphosphoryl-4,4-difluorobutan-2-one
SMILESCCCOP(=O)(OCCC)C(F)(F)CC(C)=O
InChIInChI=1S/C10H19F2O4P/c1-4-6-15-17(14,16-7-5-2)10(11,12)8-9(3)13/h4-8H2,1-3H3
InChIKeyLAVWOFAJVMHYLY-UHFFFAOYSA-N
XLogP3.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one?
The IUPAC name of 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one (CID 121429465) is 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one.
What is the SMILES notation for 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one?
The canonical SMILES for 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one is CCCOP(=O)(OCCC)C(F)(F)CC(C)=O.
What is the InChIKey of 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one?
The InChIKey is LAVWOFAJVMHYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2O4P/c1-4-6-15-17(14,16-7-5-2)10(11,12)8-9(3)13/h4-8H2,1-3H3.
What are the key properties of 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one?
4-dipropoxyphosphoryl-4,4-difluorobutan-2-one has a molecular weight of 272.23 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dipropoxyphosphoryl-4,4-difluorobutan-2-one is sourced from PubChem (CID 121429465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).