2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane

C14H26F8O6 — CID 159500657

IUPAC2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
SMILESCC(CO)(CO)COCC(F)(F)F.CC(CO)(CO)COCF.FC(F)(F)F
InChIInChI=1S/C7H13F3O3.C6H13FO3.CF4/c1-6(2-11,3-12)4-13-5-7(8,9)10;1-6(2-8,3-9)4-10-5-7;2-1(3,4)5/h11-12H,2-5H2,1H3;8-9H,2-5H2,1H3;
InChIKeyLZIRMBGPRXMSNF-UHFFFAOYSA-N
MW442.34 g/mol
LogP1.95
Rot. Bonds10

About 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane

2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane (PubChem CID 159500657) has the molecular formula C14H26F8O6 and a molecular weight of 442.34 g/mol. Its IUPAC name is 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane.

Molecular Properties

Compound Name2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
PubChem CID159500657
Molecular FormulaC14H26F8O6
Molecular Weight442.34 g/mol
Exact Mass442.16
IUPAC Name2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
SMILESCC(CO)(CO)COCC(F)(F)F.CC(CO)(CO)COCF.FC(F)(F)F
InChIInChI=1S/C7H13F3O3.C6H13FO3.CF4/c1-6(2-11,3-12)4-13-5-7(8,9)10;1-6(2-8,3-9)4-10-5-7;2-1(3,4)5/h11-12H,2-5H2,1H3;8-9H,2-5H2,1H3;
InChIKeyLZIRMBGPRXMSNF-UHFFFAOYSA-N
XLogP1.95
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol
CID 88552328
2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 161328567
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705978
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,2-trifluoroethoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-ol;methane;2-(3,3,4,4,4-pentafluorobutoxy)ethanol
CID 158339898
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methylbutan-1-ol;methane
CID 161341335
2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane
CID 162234172
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 115638162
1-(fluoromethoxy)-2-methylbutan-2-ol
CID 142713618
2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 118432348
2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
CID 158118632

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane?
The IUPAC name of 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane (CID 159500657) is 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane.
What is the SMILES notation for 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane?
The canonical SMILES for 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane is CC(CO)(CO)COCC(F)(F)F.CC(CO)(CO)COCF.FC(F)(F)F.
What is the InChIKey of 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane?
The InChIKey is LZIRMBGPRXMSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O3.C6H13FO3.CF4/c1-6(2-11,3-12)4-13-5-7(8,9)10;1-6(2-8,3-9)4-10-5-7;2-1(3,4)5/h11-12H,2-5H2,1H3;8-9H,2-5H2,1H3;.
What are the key properties of 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane?
2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane has a molecular weight of 442.34 g/mol, XLogP of 1.95, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane is sourced from PubChem (CID 159500657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).