2,3,4-trifluorobutyl dihydrogen phosphate

C4H8F3O4P — CID 90465448

IUPAC2,3,4-trifluorobutyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)C(F)CF
InChIInChI=1S/C4H8F3O4P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyPVGXFZIRYFXICV-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.74
Rot. Bonds5

About 2,3,4-trifluorobutyl dihydrogen phosphate

2,3,4-trifluorobutyl dihydrogen phosphate (PubChem CID 90465448) has the molecular formula C4H8F3O4P and a molecular weight of 208.07 g/mol. Its IUPAC name is 2,3,4-trifluorobutyl dihydrogen phosphate.

Molecular Properties

Compound Name2,3,4-trifluorobutyl dihydrogen phosphate
PubChem CID90465448
Molecular FormulaC4H8F3O4P
Molecular Weight208.07 g/mol
Exact Mass208.01
IUPAC Name2,3,4-trifluorobutyl dihydrogen phosphate
SMILESO=P(O)(O)OCC(F)C(F)CF
InChIInChI=1S/C4H8F3O4P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-4H,1-2H2,(H2,8,9,10)
InChIKeyPVGXFZIRYFXICV-UHFFFAOYSA-N
XLogP0.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-fluoropropyl) dihydrogen phosphate
CID 19927082
bis(2,3,3-trifluoropropyl) hydrogen phosphate
CID 159316002
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
2-ethenylbut-3-enyl dihydrogen phosphate
CID 90185562
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
(2-tert-butyl-3,3-dimethylbutyl) dihydrogen phosphate
CID 58431242
azane;(2-hydroxy-3-oxopropyl) dihydrogen phosphate
CID 174943725
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobutyl dihydrogen phosphate?
The IUPAC name of 2,3,4-trifluorobutyl dihydrogen phosphate (CID 90465448) is 2,3,4-trifluorobutyl dihydrogen phosphate.
What is the SMILES notation for 2,3,4-trifluorobutyl dihydrogen phosphate?
The canonical SMILES for 2,3,4-trifluorobutyl dihydrogen phosphate is O=P(O)(O)OCC(F)C(F)CF.
What is the InChIKey of 2,3,4-trifluorobutyl dihydrogen phosphate?
The InChIKey is PVGXFZIRYFXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O4P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-4H,1-2H2,(H2,8,9,10).
What are the key properties of 2,3,4-trifluorobutyl dihydrogen phosphate?
2,3,4-trifluorobutyl dihydrogen phosphate has a molecular weight of 208.07 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobutyl dihydrogen phosphate is sourced from PubChem (CID 90465448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).