2-(2,2,2-trifluoroethoxy)butane

C6H11F3O — CID 14024100

IUPAC2-(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)OCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(2)10-4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyMKBGDEOCZAFTIH-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.36
Rot. Bonds3

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

2-(2,2,2-trifluoroethoxy)butane (PubChem CID 14024100) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)butane
PubChem CID14024100
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name2-(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)OCC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-3-5(2)10-4-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyMKBGDEOCZAFTIH-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)butane (CID 14024100) is 2-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)butane is CCC(C)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)butane?
The InChIKey is MKBGDEOCZAFTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-3-5(2)10-4-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)butane?
2-(2,2,2-trifluoroethoxy)butane has a molecular weight of 156.15 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 14024100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).