1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane

C7H10F6O — CID 59126166

IUPAC1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)(F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-5(2,8)7(12,13)14-4-6(9,10)11/h3-4H2,1-2H3
InChIKeyXZLDKTMQPMJBMB-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.30
Rot. Bonds4

About 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane

1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane (PubChem CID 59126166) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane
PubChem CID59126166
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)(F)C(F)(F)OCC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-5(2,8)7(12,13)14-4-6(9,10)11/h3-4H2,1-2H3
InChIKeyXZLDKTMQPMJBMB-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane (CID 59126166) is 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane is CCC(C)(F)C(F)(F)OCC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane?
The InChIKey is XZLDKTMQPMJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-5(2,8)7(12,13)14-4-6(9,10)11/h3-4H2,1-2H3.
What are the key properties of 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane?
1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane has a molecular weight of 224.14 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-methyl-1-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 59126166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).