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

C7H13F3O — CID 59061021

IUPAC2-methyl-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)C(C)OCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)6(3)11-4-7(8,9)10/h5-6H,4H2,1-3H3
InChIKeyPUSGOJBZZFITJP-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.61
Rot. Bonds3

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

2-methyl-3-(2,2,2-trifluoroethoxy)butane (PubChem CID 59061021) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethoxy)butane
PubChem CID59061021
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name2-methyl-3-(2,2,2-trifluoroethoxy)butane
SMILESCC(C)C(C)OCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-5(2)6(3)11-4-7(8,9)10/h5-6H,4H2,1-3H3
InChIKeyPUSGOJBZZFITJP-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)butane (CID 59061021) is 2-methyl-3-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethoxy)butane is CC(C)C(C)OCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethoxy)butane?
The InChIKey is PUSGOJBZZFITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-5(2)6(3)11-4-7(8,9)10/h5-6H,4H2,1-3H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethoxy)butane?
2-methyl-3-(2,2,2-trifluoroethoxy)butane has a molecular weight of 170.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 59061021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).