fluoro(2-methylbutoxy)phosphinic acid

C5H12FO3P — CID 175014700

IUPACfluoro(2-methylbutoxy)phosphinic acid
SMILESCCC(C)COP(=O)(O)F
InChIInChI=1S/C5H12FO3P/c1-3-5(2)4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyUERPGYWXXQCDRH-UHFFFAOYSA-N
MW170.12 g/mol
LogP2.12
Rot. Bonds4

About fluoro(2-methylbutoxy)phosphinic acid

fluoro(2-methylbutoxy)phosphinic acid (PubChem CID 175014700) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is fluoro(2-methylbutoxy)phosphinic acid.

Molecular Properties

Compound Namefluoro(2-methylbutoxy)phosphinic acid
PubChem CID175014700
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Namefluoro(2-methylbutoxy)phosphinic acid
SMILESCCC(C)COP(=O)(O)F
InChIInChI=1S/C5H12FO3P/c1-3-5(2)4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKeyUERPGYWXXQCDRH-UHFFFAOYSA-N
XLogP2.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 52.12
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-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
(4,4-dimethylcyclohexyl) 2-methylbutyl hydrogen phosphate
CID 20603386
1-[fluoro(methyl)phosphoryl]oxy-2-methylpentane
CID 567433
1-[ethyl(fluoro)phosphoryl]oxy-3-methylpentane
CID 574768
bis(2-methylbutyl)phosphinic acid;propane
CID 160577161
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
2-methylbutyl acetate
CID 90958828
CID 91312756
CID 91312756

Frequently Asked Questions

What is the IUPAC name of fluoro(2-methylbutoxy)phosphinic acid?
The IUPAC name of fluoro(2-methylbutoxy)phosphinic acid (CID 175014700) is fluoro(2-methylbutoxy)phosphinic acid.
What is the SMILES notation for fluoro(2-methylbutoxy)phosphinic acid?
The canonical SMILES for fluoro(2-methylbutoxy)phosphinic acid is CCC(C)COP(=O)(O)F.
What is the InChIKey of fluoro(2-methylbutoxy)phosphinic acid?
The InChIKey is UERPGYWXXQCDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-3-5(2)4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H,7,8).
What are the key properties of fluoro(2-methylbutoxy)phosphinic acid?
fluoro(2-methylbutoxy)phosphinic acid has a molecular weight of 170.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(2-methylbutoxy)phosphinic acid is sourced from PubChem (CID 175014700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).