2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane

C8H15F3O2 — CID 59223646

IUPAC2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane
SMILESCOC[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(2,3)13-6(5-12-4)8(9,10)11/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyLGGKKOBOBXHVBF-ZCFIWIBFSA-N
MW200.20 g/mol
LogP2.38
Rot. Bonds3

About 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane

2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane (PubChem CID 59223646) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane
PubChem CID59223646
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane
SMILESCOC[C@@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-7(2,3)13-6(5-12-4)8(9,10)11/h6H,5H2,1-4H3/t6-/m1/s1
InChIKeyLGGKKOBOBXHVBF-ZCFIWIBFSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane?
The IUPAC name of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane (CID 59223646) is 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane.
What is the SMILES notation for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane?
The canonical SMILES for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane is COC[C@@H](OC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane?
The InChIKey is LGGKKOBOBXHVBF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-7(2,3)13-6(5-12-4)8(9,10)11/h6H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane?
2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane has a molecular weight of 200.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxypropane is sourced from PubChem (CID 59223646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).