(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium

C4H8F2O4P+ — CID 162541390

IUPAC(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium
SMILESCC(O)CC(F)(F)O[P+](=O)O
InChIInChI=1S/C4H7F2O4P/c1-3(7)2-4(5,6)10-11(8)9/h3,7H,2H2,1H3/p+1
InChIKeyUOAJASHVMQLGDT-UHFFFAOYSA-O
MW189.07 g/mol
LogP1.02
Rot. Bonds4

About (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium

(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium (PubChem CID 162541390) has the molecular formula C4H8F2O4P+ and a molecular weight of 189.07 g/mol. Its IUPAC name is (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium
PubChem CID162541390
Molecular FormulaC4H8F2O4P+
Molecular Weight189.07 g/mol
Exact Mass189.01
IUPAC Name(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium
SMILESCC(O)CC(F)(F)O[P+](=O)O
InChIInChI=1S/C4H7F2O4P/c1-3(7)2-4(5,6)10-11(8)9/h3,7H,2H2,1H3/p+1
InChIKeyUOAJASHVMQLGDT-UHFFFAOYSA-O
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 51.02
H-Bond Donors ≤ 52
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 (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium?
The IUPAC name of (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium (CID 162541390) is (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium is CC(O)CC(F)(F)O[P+](=O)O.
What is the InChIKey of (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium?
The InChIKey is UOAJASHVMQLGDT-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7F2O4P/c1-3(7)2-4(5,6)10-11(8)9/h3,7H,2H2,1H3/p+1.
What are the key properties of (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium?
(1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium has a molecular weight of 189.07 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-hydroxybutoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 162541390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).