propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate

C5H10F3O4P — CID 10059393

IUPACpropan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H10F3O4P/c1-4(2)12-13(9,10)11-3-5(6,7)8/h4H,3H2,1-2H3,(H,9,10)
InChIKeyUQZZRICJWTULKN-UHFFFAOYSA-N
MW222.10 g/mol
LogP2.09
Rot. Bonds4

About propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate

propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 10059393) has the molecular formula C5H10F3O4P and a molecular weight of 222.10 g/mol. Its IUPAC name is propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Namepropan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID10059393
Molecular FormulaC5H10F3O4P
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Namepropan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESCC(C)OP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C5H10F3O4P/c1-4(2)12-13(9,10)11-3-5(6,7)8/h4H,3H2,1-2H3,(H,9,10)
InChIKeyUQZZRICJWTULKN-UHFFFAOYSA-N
XLogP2.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.09
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

bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
CID 171929952
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-butan-2-ylbutan-2-amine
CID 171928293
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
fluoro propan-2-yl hydrogen phosphate
CID 22590861
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
dipropan-2-yl hydrogen phosphate;N-methylmethanamine
CID 14117486
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
propan-2-yl 2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl hydrogen phosphate
CID 168833294
azane;2,3-dibromopropyl propan-2-yl hydrogen phosphate
CID 173449510

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate (CID 10059393) is propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate is CC(C)OP(=O)(O)OCC(F)(F)F.
What is the InChIKey of propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is UQZZRICJWTULKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3O4P/c1-4(2)12-13(9,10)11-3-5(6,7)8/h4H,3H2,1-2H3,(H,9,10).
What are the key properties of propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate?
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 222.10 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 10059393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).