bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine

C5H10F6NO4P — CID 171929952

IUPACbis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
SMILESCN.O=P(O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6O4P.CH5N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-2/h1-2H2,(H,11,12);2H2,1H3
InChIKeyMFORSUAZTQBWPI-UHFFFAOYSA-N
MW293.10 g/mol
LogP1.82
Rot. Bonds4

About bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine

bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine (PubChem CID 171929952) has the molecular formula C5H10F6NO4P and a molecular weight of 293.10 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
PubChem CID171929952
Molecular FormulaC5H10F6NO4P
Molecular Weight293.10 g/mol
Exact Mass293.03
IUPAC Namebis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine
SMILESCN.O=P(O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6O4P.CH5N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-2/h1-2H2,(H,11,12);2H2,1H3
InChIKeyMFORSUAZTQBWPI-UHFFFAOYSA-N
XLogP1.82
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
CID 175262525
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-butan-2-ylbutan-2-amine
CID 171928293
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
CID 87580353
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
fluoro-N-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]phosphonamidic acid
CID 130453511

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine?
The IUPAC name of bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine (CID 171929952) is bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine?
The canonical SMILES for bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine is CN.O=P(O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine?
The InChIKey is MFORSUAZTQBWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6O4P.CH5N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-2/h1-2H2,(H,11,12);2H2,1H3.
What are the key properties of bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine?
bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine has a molecular weight of 293.10 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,2-trifluoroethyl) hydrogen phosphate;methanamine is sourced from PubChem (CID 171929952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).