bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine

C6H12F6NO4P — CID 118073252

IUPACbis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
SMILESCNC.O=P(O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6O4P.C2H7N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-3-2/h1-2H2,(H,11,12);3H,1-2H3
InChIKeyYTHZVCKQKNTJNI-UHFFFAOYSA-N
MW307.13 g/mol
LogP2.08
Rot. Bonds4

About bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine

bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine (PubChem CID 118073252) has the molecular formula C6H12F6NO4P and a molecular weight of 307.13 g/mol. Its IUPAC name is bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine.

Molecular Properties

Compound Namebis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
PubChem CID118073252
Molecular FormulaC6H12F6NO4P
Molecular Weight307.13 g/mol
Exact Mass307.04
IUPAC Namebis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
SMILESCNC.O=P(O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C4H5F6O4P.C2H7N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-3-2/h1-2H2,(H,11,12);3H,1-2H3
InChIKeyYTHZVCKQKNTJNI-UHFFFAOYSA-N
XLogP2.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 52.08
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;methanamine
CID 171929952
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
propan-2-yl 2,2,2-trifluoroethyl hydrogen phosphate
CID 10059393
2,2,2-trifluoroethyl trimethylsilyl hydrogen phosphate
CID 174547612
bis(2,2,3,3-tetrafluorobutyl) hydrogen phosphate
CID 161005939
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
fluoro-N-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]phosphonamidic acid
CID 130453511
aminomethyl(2,2,2-trifluoroethoxy)phosphinic acid
CID 15184680
2-[bis(2,2,2-trifluoroethoxy)phosphoryl]-2-methylpropane
CID 58320064
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) hydrogen phosphate
CID 165364264

Frequently Asked Questions

What is the IUPAC name of bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine?
The IUPAC name of bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine (CID 118073252) is bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine.
What is the SMILES notation for bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine?
The canonical SMILES for bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine is CNC.O=P(O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine?
The InChIKey is YTHZVCKQKNTJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6O4P.C2H7N/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10;1-3-2/h1-2H2,(H,11,12);3H,1-2H3.
What are the key properties of bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine?
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine has a molecular weight of 307.13 g/mol, XLogP of 2.08, 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;N-methylmethanamine is sourced from PubChem (CID 118073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).