2-methyl-2-(trifluoromethoxy)propane

C5H9F3O — CID 23395996

IUPAC2-methyl-2-(trifluoromethoxy)propane
SMILESCC(C)(C)OC(F)(F)F
InChIInChI=1S/C5H9F3O/c1-4(2,3)9-5(6,7)8/h1-3H3
InChIKeyMEEXDTIUMAVWST-UHFFFAOYSA-N
MW142.12 g/mol
LogP2.32
Rot. Bonds

About 2-methyl-2-(trifluoromethoxy)propane

2-methyl-2-(trifluoromethoxy)propane (PubChem CID 23395996) has the molecular formula C5H9F3O and a molecular weight of 142.12 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethoxy)propane
PubChem CID23395996
Molecular FormulaC5H9F3O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name2-methyl-2-(trifluoromethoxy)propane
SMILESCC(C)(C)OC(F)(F)F
InChIInChI=1S/C5H9F3O/c1-4(2,3)9-5(6,7)8/h1-3H3
InChIKeyMEEXDTIUMAVWST-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethoxy)propane?
The IUPAC name of 2-methyl-2-(trifluoromethoxy)propane (CID 23395996) is 2-methyl-2-(trifluoromethoxy)propane.
What is the SMILES notation for 2-methyl-2-(trifluoromethoxy)propane?
The canonical SMILES for 2-methyl-2-(trifluoromethoxy)propane is CC(C)(C)OC(F)(F)F.
What is the InChIKey of 2-methyl-2-(trifluoromethoxy)propane?
The InChIKey is MEEXDTIUMAVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O/c1-4(2,3)9-5(6,7)8/h1-3H3.
What are the key properties of 2-methyl-2-(trifluoromethoxy)propane?
2-methyl-2-(trifluoromethoxy)propane has a molecular weight of 142.12 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethoxy)propane is sourced from PubChem (CID 23395996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).