2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane

C7H13F3O2 — CID 87688853

IUPAC2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane
SMILESCOC(C)(C)COCC(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,11-3)4-12-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyDMMRKIHHRPHZTD-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.99
Rot. Bonds4

About 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane

2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane (PubChem CID 87688853) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane
PubChem CID87688853
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane
SMILESCOC(C)(C)COCC(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,11-3)4-12-5-7(8,9)10/h4-5H2,1-3H3
InChIKeyDMMRKIHHRPHZTD-UHFFFAOYSA-N
XLogP1.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane (CID 87688853) is 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane is COC(C)(C)COCC(F)(F)F.
What is the InChIKey of 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane?
The InChIKey is DMMRKIHHRPHZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-6(2,11-3)4-12-5-7(8,9)10/h4-5H2,1-3H3.
What are the key properties of 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane?
2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane has a molecular weight of 186.17 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-1-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 87688853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).