(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid

C6H13F2O4P — CID 89445601

IUPAC(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid
SMILESCCOC(F)(F)CCOP(C)(=O)O
InChIInChI=1S/C6H13F2O4P/c1-3-11-6(7,8)4-5-12-13(2,9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyOMCYSHQEMAASEN-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.84
Rot. Bonds6

About (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid

(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid (PubChem CID 89445601) has the molecular formula C6H13F2O4P and a molecular weight of 218.14 g/mol. Its IUPAC name is (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid
PubChem CID89445601
Molecular FormulaC6H13F2O4P
Molecular Weight218.14 g/mol
Exact Mass218.05
IUPAC Name(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid
SMILESCCOC(F)(F)CCOP(C)(=O)O
InChIInChI=1S/C6H13F2O4P/c1-3-11-6(7,8)4-5-12-13(2,9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyOMCYSHQEMAASEN-UHFFFAOYSA-N
XLogP1.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid?
The IUPAC name of (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid (CID 89445601) is (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid.
What is the SMILES notation for (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid?
The canonical SMILES for (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid is CCOC(F)(F)CCOP(C)(=O)O.
What is the InChIKey of (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid?
The InChIKey is OMCYSHQEMAASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2O4P/c1-3-11-6(7,8)4-5-12-13(2,9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid?
(3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid has a molecular weight of 218.14 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-3,3-difluoropropoxy)-methylphosphinic acid is sourced from PubChem (CID 89445601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).