1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid

C8H15F2O5P — CID 143170635

IUPAC1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)(C)C(=O)OCOP(=O)(O)C(C)(F)F
InChIInChI=1S/C8H15F2O5P/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10/h5H2,1-4H3,(H,12,13)
InChIKeyVPTGMNFXLBENRV-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.35
Rot. Bonds4

About 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid

1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid (PubChem CID 143170635) has the molecular formula C8H15F2O5P and a molecular weight of 260.17 g/mol. Its IUPAC name is 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid.

Molecular Properties

Compound Name1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
PubChem CID143170635
Molecular FormulaC8H15F2O5P
Molecular Weight260.17 g/mol
Exact Mass260.06
IUPAC Name1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
SMILESCC(C)(C)C(=O)OCOP(=O)(O)C(C)(F)F
InChIInChI=1S/C8H15F2O5P/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10/h5H2,1-4H3,(H,12,13)
InChIKeyVPTGMNFXLBENRV-UHFFFAOYSA-N
XLogP2.35
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The IUPAC name of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid (CID 143170635) is 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid.
What is the SMILES notation for 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The canonical SMILES for 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid is CC(C)(C)C(=O)OCOP(=O)(O)C(C)(F)F.
What is the InChIKey of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
The InChIKey is VPTGMNFXLBENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O5P/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10/h5H2,1-4H3,(H,12,13).
What are the key properties of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid?
1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid has a molecular weight of 260.17 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid is sourced from PubChem (CID 143170635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).