methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid

C4H8F3O3P — CID 87127892

IUPACmethyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
SMILESCC(OP(C)(=O)O)C(F)(F)F
InChIInChI=1S/C4H8F3O3P/c1-3(4(5,6)7)10-11(2,8)9/h3H,1-2H3,(H,8,9)
InChIKeyIOTJRVUURNHTRA-UHFFFAOYSA-N
MW192.07 g/mol
LogP1.77
Rot. Bonds2

About methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid

methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid (PubChem CID 87127892) has the molecular formula C4H8F3O3P and a molecular weight of 192.07 g/mol. Its IUPAC name is methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namemethyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
PubChem CID87127892
Molecular FormulaC4H8F3O3P
Molecular Weight192.07 g/mol
Exact Mass192.02
IUPAC Namemethyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid
SMILESCC(OP(C)(=O)O)C(F)(F)F
InChIInChI=1S/C4H8F3O3P/c1-3(4(5,6)7)10-11(2,8)9/h3H,1-2H3,(H,8,9)
InChIKeyIOTJRVUURNHTRA-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The IUPAC name of methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid (CID 87127892) is methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid.
What is the SMILES notation for methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The canonical SMILES for methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid is CC(OP(C)(=O)O)C(F)(F)F.
What is the InChIKey of methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
The InChIKey is IOTJRVUURNHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O3P/c1-3(4(5,6)7)10-11(2,8)9/h3H,1-2H3,(H,8,9).
What are the key properties of methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid?
methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid has a molecular weight of 192.07 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1,1,1-trifluoropropan-2-yloxy)phosphinic acid is sourced from PubChem (CID 87127892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).