2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane

C11H18F6O — CID 170367959

IUPAC2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane
SMILESCC(C)C(C)COC(C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O/c1-6(2)7(3)5-18-8(4)9(10(12,13)14)11(15,16)17/h6-9H,5H2,1-4H3
InChIKeyVYNPXTMVQBLHRX-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.42
Rot. Bonds5

About 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane

2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane (PubChem CID 170367959) has the molecular formula C11H18F6O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane.

Molecular Properties

Compound Name2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane
PubChem CID170367959
Molecular FormulaC11H18F6O
Molecular Weight280.25 g/mol
Exact Mass280.13
IUPAC Name2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane
SMILESCC(C)C(C)COC(C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O/c1-6(2)7(3)5-18-8(4)9(10(12,13)14)11(15,16)17/h6-9H,5H2,1-4H3
InChIKeyVYNPXTMVQBLHRX-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane?
The IUPAC name of 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane (CID 170367959) is 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane.
What is the SMILES notation for 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane?
The canonical SMILES for 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane is CC(C)C(C)COC(C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane?
The InChIKey is VYNPXTMVQBLHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O/c1-6(2)7(3)5-18-8(4)9(10(12,13)14)11(15,16)17/h6-9H,5H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane?
2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane has a molecular weight of 280.25 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]oxybutane is sourced from PubChem (CID 170367959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).