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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Related Compounds

2-dimethylphosphoryloxy-1,1,1-trifluoropropane
CID 87666896
calcium;3,3-dimethylbutan-2-yloxy(methyl)phosphinic acid;3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane;dihypochlorite;hydrate;hydrofluoride
CID 159721855
2-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(1,1,1-trifluoropropan-2-yloxy)phosphoryl]-2-methylpropane
CID 58320049
bis(prop-2-ynyl) 1,1,1-trifluoropropan-2-yl phosphate
CID 163686133
fluoro(methyl)phosphinic acid;2-[fluoro(methyl)phosphoryl]oxypropane
CID 87088477
bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl) hydrogen phosphate
CID 121302504
methyl-[1-(2-methylpropanoyloxy)ethoxy]phosphinic acid
CID 159625689
[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid
CID 2249197
methyl 3,3,3-trifluoro-2-phosphonooxypropanoate
CID 86148946
ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphinic acid
CID 87623347
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
methyl(1-phenylethoxy)phosphinic acid
CID 154330211

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).