bis(2,3,3-trifluoropropyl) hydrogen phosphate

C6H9F6O4P — CID 159316002

IUPACbis(2,3,3-trifluoropropyl) hydrogen phosphate
SMILESO=P(O)(OCC(F)C(F)F)OCC(F)C(F)F
InChIInChI=1S/C6H9F6O4P/c7-3(5(9)10)1-15-17(13,14)16-2-4(8)6(11)12/h3-6H,1-2H2,(H,13,14)
InChIKeyLDDIFKYRQAAUDN-UHFFFAOYSA-N
MW290.10 g/mol
LogP2.33
Rot. Bonds8

About bis(2,3,3-trifluoropropyl) hydrogen phosphate

bis(2,3,3-trifluoropropyl) hydrogen phosphate (PubChem CID 159316002) has the molecular formula C6H9F6O4P and a molecular weight of 290.10 g/mol. Its IUPAC name is bis(2,3,3-trifluoropropyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2,3,3-trifluoropropyl) hydrogen phosphate
PubChem CID159316002
Molecular FormulaC6H9F6O4P
Molecular Weight290.10 g/mol
Exact Mass290.01
IUPAC Namebis(2,3,3-trifluoropropyl) hydrogen phosphate
SMILESO=P(O)(OCC(F)C(F)F)OCC(F)C(F)F
InChIInChI=1S/C6H9F6O4P/c7-3(5(9)10)1-15-17(13,14)16-2-4(8)6(11)12/h3-6H,1-2H2,(H,13,14)
InChIKeyLDDIFKYRQAAUDN-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluorobutyl dihydrogen phosphate
CID 90465448
bis(2,2-difluoroethyl) hydrogen phosphate;N-propan-2-ylpropan-2-amine
CID 118073235
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
CID 131878530
CID 131878530
bis[2,3,3,3-tetradeuterio-2-(trideuteriomethyl)propyl] hydrogen phosphate
CID 169438675
2-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] [(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
CID 91851104
bis(hydroxymethyl) hydrogen phosphate
CID 18504364
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
CID 21023155
3-[(2-carboxy-2-phosphonooxyethoxy)-hydroxyphosphoryl]oxy-2-phosphonooxypropanoic acid
CID 87534689
fluoro(2-fluoropropoxy)phosphinic acid
CID 150074483

Frequently Asked Questions

What is the IUPAC name of bis(2,3,3-trifluoropropyl) hydrogen phosphate?
The IUPAC name of bis(2,3,3-trifluoropropyl) hydrogen phosphate (CID 159316002) is bis(2,3,3-trifluoropropyl) hydrogen phosphate.
What is the SMILES notation for bis(2,3,3-trifluoropropyl) hydrogen phosphate?
The canonical SMILES for bis(2,3,3-trifluoropropyl) hydrogen phosphate is O=P(O)(OCC(F)C(F)F)OCC(F)C(F)F.
What is the InChIKey of bis(2,3,3-trifluoropropyl) hydrogen phosphate?
The InChIKey is LDDIFKYRQAAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6O4P/c7-3(5(9)10)1-15-17(13,14)16-2-4(8)6(11)12/h3-6H,1-2H2,(H,13,14).
What are the key properties of bis(2,3,3-trifluoropropyl) hydrogen phosphate?
bis(2,3,3-trifluoropropyl) hydrogen phosphate has a molecular weight of 290.10 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,3-trifluoropropyl) hydrogen phosphate is sourced from PubChem (CID 159316002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).