2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane

C9H17F3O — CID 59722682

IUPAC2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)C(C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2,3)8(4,5)13-6-9(10,11)12/h6H2,1-5H3
InChIKeyBFVOEEUEPRDKKW-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.39
Rot. Bonds2

About 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane

2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane (PubChem CID 59722682) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane
PubChem CID59722682
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)(C)C(C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3O/c1-7(2,3)8(4,5)13-6-9(10,11)12/h6H2,1-5H3
InChIKeyBFVOEEUEPRDKKW-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane (CID 59722682) is 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane is CC(C)(C)C(C)(C)OCC(F)(F)F.
What is the InChIKey of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane?
The InChIKey is BFVOEEUEPRDKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-7(2,3)8(4,5)13-6-9(10,11)12/h6H2,1-5H3.
What are the key properties of 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane?
2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane has a molecular weight of 198.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 59722682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).