butan-2-yloxy(fluoro)phosphinic acid

C4H10FO3P — CID 59960109

IUPACbutan-2-yloxy(fluoro)phosphinic acid
SMILESCCC(C)OP(=O)(O)F
InChIInChI=1S/C4H10FO3P/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyFOJLSWAAMLTJNZ-UHFFFAOYSA-N
MW156.09 g/mol
LogP1.87
Rot. Bonds3

About butan-2-yloxy(fluoro)phosphinic acid

butan-2-yloxy(fluoro)phosphinic acid (PubChem CID 59960109) has the molecular formula C4H10FO3P and a molecular weight of 156.09 g/mol. Its IUPAC name is butan-2-yloxy(fluoro)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy(fluoro)phosphinic acid
PubChem CID59960109
Molecular FormulaC4H10FO3P
Molecular Weight156.09 g/mol
Exact Mass156.04
IUPAC Namebutan-2-yloxy(fluoro)phosphinic acid
SMILESCCC(C)OP(=O)(O)F
InChIInChI=1S/C4H10FO3P/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKeyFOJLSWAAMLTJNZ-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 51.87
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 butan-2-yloxy(fluoro)phosphinic acid?
The IUPAC name of butan-2-yloxy(fluoro)phosphinic acid (CID 59960109) is butan-2-yloxy(fluoro)phosphinic acid.
What is the SMILES notation for butan-2-yloxy(fluoro)phosphinic acid?
The canonical SMILES for butan-2-yloxy(fluoro)phosphinic acid is CCC(C)OP(=O)(O)F.
What is the InChIKey of butan-2-yloxy(fluoro)phosphinic acid?
The InChIKey is FOJLSWAAMLTJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO3P/c1-3-4(2)8-9(5,6)7/h4H,3H2,1-2H3,(H,6,7).
What are the key properties of butan-2-yloxy(fluoro)phosphinic acid?
butan-2-yloxy(fluoro)phosphinic acid has a molecular weight of 156.09 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy(fluoro)phosphinic acid is sourced from PubChem (CID 59960109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).