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

C10H21F2O5P — CID 143170634

IUPAC1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane
SMILESCC.CC(C)(C)C(=O)OCOP(=O)(O)C(C)(F)F
InChIInChI=1S/C8H15F2O5P.C2H6/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10;1-2/h5H2,1-4H3,(H,12,13);1-2H3
InChIKeyOAMHOEFVQSZFDL-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.37
Rot. Bonds4

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

1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane (PubChem CID 143170634) has the molecular formula C10H21F2O5P and a molecular weight of 290.24 g/mol. Its IUPAC name is 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane.

Molecular Properties

Compound Name1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane
PubChem CID143170634
Molecular FormulaC10H21F2O5P
Molecular Weight290.24 g/mol
Exact Mass290.11
IUPAC Name1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane
SMILESCC.CC(C)(C)C(=O)OCOP(=O)(O)C(C)(F)F
InChIInChI=1S/C8H15F2O5P.C2H6/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10;1-2/h5H2,1-4H3,(H,12,13);1-2H3
InChIKeyOAMHOEFVQSZFDL-UHFFFAOYSA-N
XLogP3.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.37
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;ethane?
The IUPAC name of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane (CID 143170634) is 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane.
What is the SMILES notation for 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane?
The canonical SMILES for 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane is CC.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;ethane?
The InChIKey is OAMHOEFVQSZFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O5P.C2H6/c1-7(2,3)6(11)14-5-15-16(12,13)8(4,9)10;1-2/h5H2,1-4H3,(H,12,13);1-2H3.
What are the key properties of 1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane?
1,1-difluoroethyl(2,2-dimethylpropanoyloxymethoxy)phosphinic acid;ethane has a molecular weight of 290.24 g/mol, XLogP of 3.37, 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;ethane is sourced from PubChem (CID 143170634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).