1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane

C8H12F6O — CID 21252194

IUPAC1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane
SMILESCCC(OC(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-5(7(9,10)11)15-6(4-2)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyYRTVANWEEDZUHU-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.68
Rot. Bonds4

About 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane

1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane (PubChem CID 21252194) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane
PubChem CID21252194
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane
SMILESCCC(OC(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-5(7(9,10)11)15-6(4-2)8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyYRTVANWEEDZUHU-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane?
The IUPAC name of 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane (CID 21252194) is 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane.
What is the SMILES notation for 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane?
The canonical SMILES for 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane is CCC(OC(CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane?
The InChIKey is YRTVANWEEDZUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c1-3-5(7(9,10)11)15-6(4-2)8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane?
1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane has a molecular weight of 238.17 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(1,1,1-trifluorobutan-2-yloxy)butane is sourced from PubChem (CID 21252194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).