ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate

C5H10F3O4P — CID 161228168

IUPACethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESC=C.COP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3O4P.C2H4/c1-9-11(7,8)10-2-3(4,5)6;1-2/h2H2,1H3,(H,7,8);1-2H2
InChIKeyUYJZFCRKSJKYDD-UHFFFAOYSA-N
MW222.10 g/mol
LogP2.11
Rot. Bonds3

About ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate

ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate (PubChem CID 161228168) has the molecular formula C5H10F3O4P and a molecular weight of 222.10 g/mol. Its IUPAC name is ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate.

Molecular Properties

Compound Nameethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
PubChem CID161228168
Molecular FormulaC5H10F3O4P
Molecular Weight222.10 g/mol
Exact Mass222.03
IUPAC Nameethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate
SMILESC=C.COP(=O)(O)OCC(F)(F)F
InChIInChI=1S/C3H6F3O4P.C2H4/c1-9-11(7,8)10-2-3(4,5)6;1-2/h2H2,1H3,(H,7,8);1-2H2
InChIKeyUYJZFCRKSJKYDD-UHFFFAOYSA-N
XLogP2.11
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
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
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
ethyl methyl 2,2,2-trifluoroethyl phosphate
CID 87424600
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
CID 657052
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064

Frequently Asked Questions

What is the IUPAC name of ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The IUPAC name of ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate (CID 161228168) is ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate.
What is the SMILES notation for ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The canonical SMILES for ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate is C=C.COP(=O)(O)OCC(F)(F)F.
What is the InChIKey of ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate?
The InChIKey is UYJZFCRKSJKYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3O4P.C2H4/c1-9-11(7,8)10-2-3(4,5)6;1-2/h2H2,1H3,(H,7,8);1-2H2.
What are the key properties of ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate?
ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate has a molecular weight of 222.10 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methyl 2,2,2-trifluoroethyl hydrogen phosphate is sourced from PubChem (CID 161228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).