fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid

C5H9F4O3P — CID 87128014

IUPACfluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid
SMILESCCCC(OP(=O)(O)F)C(F)(F)F
InChIInChI=1S/C5H9F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyYPTJEVWLMHRBBH-UHFFFAOYSA-N
MW224.09 g/mol
LogP2.80
Rot. Bonds4

About fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid

fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid (PubChem CID 87128014) has the molecular formula C5H9F4O3P and a molecular weight of 224.09 g/mol. Its IUPAC name is fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid
PubChem CID87128014
Molecular FormulaC5H9F4O3P
Molecular Weight224.09 g/mol
Exact Mass224.02
IUPAC Namefluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid
SMILESCCCC(OP(=O)(O)F)C(F)(F)F
InChIInChI=1S/C5H9F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyYPTJEVWLMHRBBH-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 52.80
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

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heptan-4-yl dihydrogen phosphate
CID 18763997
[(2S)-3-di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-yl] butanoate
CID 101229327
tert-butyl(pentan-2-yloxy)phosphinic acid
CID 71328132
methoxy(trifluoromethyl)phosphinic acid;tributyl(methyl)phosphanium
CID 158242345
(3-dipropoxyphosphoryl-1,1,1-trifluoropropan-2-yl) butanoate
CID 101229328
3,3,3-trifluoro-2-hexadecanoyloxypropane-1-sulfonic acid
CID 129061685
2,2-dimethylheptan-3-yl dihydrogen phosphate
CID 151613956
[1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)hexan-3-yl] 2-methylidenebutanoate
CID 59217559
(2-hydroxy-2-methylhexan-3-yl) acetate
CID 140977252
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815

Frequently Asked Questions

What is the IUPAC name of fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid?
The IUPAC name of fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid (CID 87128014) is fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid.
What is the SMILES notation for fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid?
The canonical SMILES for fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid is CCCC(OP(=O)(O)F)C(F)(F)F.
What is the InChIKey of fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid?
The InChIKey is YPTJEVWLMHRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4O3P/c1-2-3-4(5(6,7)8)12-13(9,10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid?
fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid has a molecular weight of 224.09 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1,1,1-trifluoropentan-2-yloxy)phosphinic acid is sourced from PubChem (CID 87128014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).