[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate

C7H14F3O6P — CID 657052

IUPAC[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
SMILESCOC[C@H](COCC(F)(F)F)OP(=O)(O)OC
InChIInChI=1S/C7H14F3O6P/c1-13-3-6(16-17(11,12)14-2)4-15-5-7(8,9)10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeySWDUFSSEYPDFHH-ZCFIWIBFSA-N
MW282.15 g/mol
LogP1.34
Rot. Bonds8

About [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate

[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate (PubChem CID 657052) has the molecular formula C7H14F3O6P and a molecular weight of 282.15 g/mol. Its IUPAC name is [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
PubChem CID657052
Molecular FormulaC7H14F3O6P
Molecular Weight282.15 g/mol
Exact Mass282.05
IUPAC Name[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
SMILESCOC[C@H](COCC(F)(F)F)OP(=O)(O)OC
InChIInChI=1S/C7H14F3O6P/c1-13-3-6(16-17(11,12)14-2)4-15-5-7(8,9)10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeySWDUFSSEYPDFHH-ZCFIWIBFSA-N
XLogP1.34
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl [(2R)-1-propoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] hydrogen phosphate
CID 42627105
Phosphoric acid hydrogen isopropyl 2,2,2-trifluoroethyl ester
CID 10059393
(5S)-5-(ethoxymethyl)-3,3-difluoro-2-hydroxy-1,2lambda5-oxaphospholane 2-oxide
CID 58881727
Methyl 1,1,1-trifluorobutan-2-yl hydrogen phosphate
CID 87127886
(3-Ethoxy-3,3-difluoropropoxy)-methylphosphinic acid
CID 89445601
2,3,3,3-Tetrafluoro-2-(perfluoropropoxy)-1-propanol 1-phosphate
CID 101890047
GlyTouCan:G78768TQ
CID 118688296
Dimethyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propyl] phosphate
CID 122450437
2-(2,2-Difluoro-2-methoxyethoxy)ethyl dimethyl phosphate
CID 122450441
[2,3-Difluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] dimethyl phosphate
CID 122455373
Dimethyl [2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propyl] phosphate
CID 122463213
[1,1-Difluoro-3-[2-(2-propan-2-yloxyethoxy)ethoxy]propyl]phosphonic acid
CID 126759063

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate?
The IUPAC name of [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate (CID 657052) is [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate.
What is the SMILES notation for [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate?
The canonical SMILES for [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate is COC[C@H](COCC(F)(F)F)OP(=O)(O)OC.
What is the InChIKey of [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate?
The InChIKey is SWDUFSSEYPDFHH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F3O6P/c1-13-3-6(16-17(11,12)14-2)4-15-5-7(8,9)10/h6H,3-5H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate?
[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate has a molecular weight of 282.15 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate is sourced from PubChem (CID 657052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).