[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid

C10H21F2O6P — CID 126759063

IUPAC[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid
SMILESCC(C)OCCOCCOCCC(F)(F)P(=O)(O)O
InChIInChI=1S/C10H21F2O6P/c1-9(2)18-8-7-17-6-5-16-4-3-10(11,12)19(13,14)15/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyZFFWUASWCYEKOV-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.61
Rot. Bonds11

About [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid

[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid (PubChem CID 126759063) has the molecular formula C10H21F2O6P and a molecular weight of 306.24 g/mol. Its IUPAC name is [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid.

Molecular Properties

Compound Name[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid
PubChem CID126759063
Molecular FormulaC10H21F2O6P
Molecular Weight306.24 g/mol
Exact Mass306.10
IUPAC Name[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid
SMILESCC(C)OCCOCCOCCC(F)(F)P(=O)(O)O
InChIInChI=1S/C10H21F2O6P/c1-9(2)18-8-7-17-6-5-16-4-3-10(11,12)19(13,14)15/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyZFFWUASWCYEKOV-UHFFFAOYSA-N
XLogP1.61
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid?
The IUPAC name of [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid (CID 126759063) is [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid.
What is the SMILES notation for [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid?
The canonical SMILES for [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid is CC(C)OCCOCCOCCC(F)(F)P(=O)(O)O.
What is the InChIKey of [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid?
The InChIKey is ZFFWUASWCYEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2O6P/c1-9(2)18-8-7-17-6-5-16-4-3-10(11,12)19(13,14)15/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid?
[1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid has a molecular weight of 306.24 g/mol, XLogP of 1.61, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid is sourced from PubChem (CID 126759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).