2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone

C9H17F2IO4P- — CID 163785713

IUPAC2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone
SMILESCCCOP(=O)(OCCC)C(F)(F)C(=O)[I-]C
InChIInChI=1S/C9H17F2IO4P/c1-4-6-15-17(14,16-7-5-2)9(10,11)8(13)12-3/h4-7H2,1-3H3/q-1
InChIKeyHIFRWUXTQMYSLD-UHFFFAOYSA-N
MW385.11 g/mol
LogP-0.13
Rot. Bonds9

About 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone

2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone (PubChem CID 163785713) has the molecular formula C9H17F2IO4P- and a molecular weight of 385.11 g/mol. Its IUPAC name is 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone.

Molecular Properties

Compound Name2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone
PubChem CID163785713
Molecular FormulaC9H17F2IO4P-
Molecular Weight385.11 g/mol
Exact Mass384.99
IUPAC Name2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone
SMILESCCCOP(=O)(OCCC)C(F)(F)C(=O)[I-]C
InChIInChI=1S/C9H17F2IO4P/c1-4-6-15-17(14,16-7-5-2)9(10,11)8(13)12-3/h4-7H2,1-3H3/q-1
InChIKeyHIFRWUXTQMYSLD-UHFFFAOYSA-N
XLogP-0.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone?
The IUPAC name of 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone (CID 163785713) is 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone.
What is the SMILES notation for 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone?
The canonical SMILES for 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone is CCCOP(=O)(OCCC)C(F)(F)C(=O)[I-]C.
What is the InChIKey of 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone?
The InChIKey is HIFRWUXTQMYSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2IO4P/c1-4-6-15-17(14,16-7-5-2)9(10,11)8(13)12-3/h4-7H2,1-3H3/q-1.
What are the key properties of 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone?
2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone has a molecular weight of 385.11 g/mol, XLogP of -0.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dipropoxyphosphoryl-2,2-difluoro-1-methyliodanuidylethanone is sourced from PubChem (CID 163785713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).