dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate

C10H19F3O7P- — CID 21154311

IUPACdipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCCOP(=O)([O-])OCCC.COC(=O)C(O)C(F)(F)F
InChIInChI=1S/C6H15O4P.C4H5F3O3/c1-3-5-9-11(7,8)10-6-4-2;1-10-3(9)2(8)4(5,6)7/h3-6H2,1-2H3,(H,7,8);2,8H,1H3/p-1
InChIKeyDUCMYVXBHOAPOX-UHFFFAOYSA-M
MW339.22 g/mol
LogP1.39
Rot. Bonds7

About dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate

dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate (PubChem CID 21154311) has the molecular formula C10H19F3O7P- and a molecular weight of 339.22 g/mol. Its IUPAC name is dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate.

Molecular Properties

Compound Namedipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate
PubChem CID21154311
Molecular FormulaC10H19F3O7P-
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC Namedipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCCOP(=O)([O-])OCCC.COC(=O)C(O)C(F)(F)F
InChIInChI=1S/C6H15O4P.C4H5F3O3/c1-3-5-9-11(7,8)10-6-4-2;1-10-3(9)2(8)4(5,6)7/h3-6H2,1-2H3,(H,7,8);2,8H,1H3/p-1
InChIKeyDUCMYVXBHOAPOX-UHFFFAOYSA-M
XLogP1.39
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl propyl phosphate
CID 23558663
dibutyl phosphate;tetramethylphosphanium
CID 87474476
sodium hydroxy propyl phosphate
CID 172830425
butyl propyl phosphate;nickel
CID 88805143
sodium amino propyl phosphate
CID 174784234
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
methyl 3-fluoro-2-hydroxy-3-methylbutanoate
CID 15136874
methyl 2-hydroxypentanoate
CID 543619
magnesium dibutyl phosphate
CID 21400580
methyl 3,3,3-trifluoro-2-(fluoromethyl)propanoate
CID 174453515
diicosyl phosphate
CID 21219883
dipentyl phosphate;nickel(2+)
CID 22743882

Frequently Asked Questions

What is the IUPAC name of dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate?
The IUPAC name of dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate (CID 21154311) is dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate.
What is the SMILES notation for dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate?
The canonical SMILES for dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate is CCCOP(=O)([O-])OCCC.COC(=O)C(O)C(F)(F)F.
What is the InChIKey of dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate?
The InChIKey is DUCMYVXBHOAPOX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O4P.C4H5F3O3/c1-3-5-9-11(7,8)10-6-4-2;1-10-3(9)2(8)4(5,6)7/h3-6H2,1-2H3,(H,7,8);2,8H,1H3/p-1.
What are the key properties of dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate?
dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate has a molecular weight of 339.22 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate is sourced from PubChem (CID 21154311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).