2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane

C8H12F6O — CID 12951110

IUPAC2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane
SMILESCC(F)(F)C(C)(F)OC(C)(F)C(C)(F)F
InChIInChI=1S/C8H12F6O/c1-5(9,10)7(3,13)15-8(4,14)6(2,11)12/h1-4H3
InChIKeyFCJMYHCQKKYDFD-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.68
Rot. Bonds4

About 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane

2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane (PubChem CID 12951110) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane
PubChem CID12951110
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane
SMILESCC(F)(F)C(C)(F)OC(C)(F)C(C)(F)F
InChIInChI=1S/C8H12F6O/c1-5(9,10)7(3,13)15-8(4,14)6(2,11)12/h1-4H3
InChIKeyFCJMYHCQKKYDFD-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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Related Compounds

Difluoro-ethylmethyl ether
CID 59628160
1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)butane
CID 71358567
1,1,1,2,2,3,3-Heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
2-Methyl-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 2782467
2-Methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10130317
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)-2-methylpropane
CID 10198680
1,1,1,2-Tetrafluoro-3-methyl-2-(1,1,1,2-tetrafluoro-3-methylbutan-2-yl)oxybutane
CID 18913766
1,1,1,2,2,3,3,4-Octafluoro-4-(3,4,4,5,5,6,6,6-octafluorohexan-3-yloxy)hexane
CID 18934302
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-2-methylpropane
CID 19066587
1,1,1-Trifluoro-2-methyl-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropane
CID 19087430
1,1,1,2,3,3-Hexafluoro-2-propoxypropane
CID 19096952
1,1,1,2,3,4-Hexafluoro-3-(1,1,1,2,3,4-hexafluoropentan-3-yloxy)pentane
CID 20352484

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane?
The IUPAC name of 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane (CID 12951110) is 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane.
What is the SMILES notation for 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane?
The canonical SMILES for 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane is CC(F)(F)C(C)(F)OC(C)(F)C(C)(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane?
The InChIKey is FCJMYHCQKKYDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c1-5(9,10)7(3,13)15-8(4,14)6(2,11)12/h1-4H3.
What are the key properties of 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane?
2,2,3-trifluoro-3-(2,3,3-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 2,2,3-trifluoro-3-(2,3,3-trifluorobutan-2-yloxy)butane is sourced from PubChem (CID 12951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).