alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate

C2H6AlF4O4P — CID 175262525

IUPACalumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
SMILESO=P(O)(OF)OCC(F)(F)F.[AlH3]
InChIInChI=1S/C2H3F4O4P.Al.3H/c3-2(4,5)1-9-11(7,8)10-6;;;;/h1H2,(H,7,8);;;;
InChIKeyIDMAHVJYURYJFL-UHFFFAOYSA-N
MW228.01 g/mol
LogP0.38
Rot. Bonds3

About alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate

alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 175262525) has the molecular formula C2H6AlF4O4P and a molecular weight of 228.01 g/mol. Its IUPAC name is alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Namealumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID175262525
Molecular FormulaC2H6AlF4O4P
Molecular Weight228.01 g/mol
Exact Mass227.98
IUPAC Namealumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate
SMILESO=P(O)(OF)OCC(F)(F)F.[AlH3]
InChIInChI=1S/C2H3F4O4P.Al.3H/c3-2(4,5)1-9-11(7,8)10-6;;;;/h1H2,(H,7,8);;;;
InChIKeyIDMAHVJYURYJFL-UHFFFAOYSA-N
XLogP0.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.01
LogP ≤ 50.38
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
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
CID 161228168
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-butan-2-ylbutan-2-amine
CID 171928293
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
fluoro-N-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]phosphonamidic acid
CID 130453511
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
bis(bis(2,2,2-trifluoroethyl) phosphate);cobalt(2+)
CID 175761195
[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl]-(2,2,2-trifluoroethoxy)phosphinic acid
CID 87580353

Frequently Asked Questions

What is the IUPAC name of alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate (CID 175262525) is alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate is O=P(O)(OF)OCC(F)(F)F.[AlH3].
What is the InChIKey of alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is IDMAHVJYURYJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F4O4P.Al.3H/c3-2(4,5)1-9-11(7,8)10-6;;;;/h1H2,(H,7,8);;;;.
What are the key properties of alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate?
alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 228.01 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;fluoro 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 175262525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).