[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid

C7H14F3O4P — CID 134344695

IUPAC[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid
SMILESCCC(C)(C)OC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C7H14F3O4P/c1-4-6(2,3)14-5(7(8,9)10)15(11,12)13/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyGPPGJMAYSVJLRC-UHFFFAOYSA-N
MW250.15 g/mol
LogP2.26
Rot. Bonds4

About [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid

[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid (PubChem CID 134344695) has the molecular formula C7H14F3O4P and a molecular weight of 250.15 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid
PubChem CID134344695
Molecular FormulaC7H14F3O4P
Molecular Weight250.15 g/mol
Exact Mass250.06
IUPAC Name[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid
SMILESCCC(C)(C)OC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C7H14F3O4P/c1-4-6(2,3)14-5(7(8,9)10)15(11,12)13/h5H,4H2,1-3H3,(H2,11,12,13)
InChIKeyGPPGJMAYSVJLRC-UHFFFAOYSA-N
XLogP2.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid?
The IUPAC name of [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid (CID 134344695) is [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid.
What is the SMILES notation for [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid?
The canonical SMILES for [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid is CCC(C)(C)OC(C(F)(F)F)P(=O)(O)O.
What is the InChIKey of [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid?
The InChIKey is GPPGJMAYSVJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3O4P/c1-4-6(2,3)14-5(7(8,9)10)15(11,12)13/h5H,4H2,1-3H3,(H2,11,12,13).
What are the key properties of [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid?
[2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid has a molecular weight of 250.15 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(2-methylbutan-2-yloxy)ethyl]phosphonic acid is sourced from PubChem (CID 134344695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).