2-methoxy-2-methylpropane;2,2,2-trifluoroethanol

C7H15F3O2 — CID 156562872

IUPAC2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
SMILESCOC(C)(C)C.OCC(F)(F)F
InChIInChI=1S/C5H12O.C2H3F3O/c1-5(2,3)6-4;3-2(4,5)1-6/h1-4H3;6H,1H2
InChIKeyANYYJYXMNVUKHF-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.97
Rot. Bonds

About 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol

2-methoxy-2-methylpropane;2,2,2-trifluoroethanol (PubChem CID 156562872) has the molecular formula C7H15F3O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
PubChem CID156562872
Molecular FormulaC7H15F3O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC Name2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
SMILESCOC(C)(C)C.OCC(F)(F)F
InChIInChI=1S/C5H12O.C2H3F3O/c1-5(2,3)6-4;3-2(4,5)1-6/h1-4H3;6H,1H2
InChIKeyANYYJYXMNVUKHF-UHFFFAOYSA-N
XLogP1.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol?
The IUPAC name of 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol (CID 156562872) is 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol.
What is the SMILES notation for 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol?
The canonical SMILES for 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol is COC(C)(C)C.OCC(F)(F)F.
What is the InChIKey of 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol?
The InChIKey is ANYYJYXMNVUKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H3F3O/c1-5(2,3)6-4;3-2(4,5)1-6/h1-4H3;6H,1H2.
What are the key properties of 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol?
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol has a molecular weight of 188.19 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;2,2,2-trifluoroethanol is sourced from PubChem (CID 156562872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).