1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane

C6H3F11O — CID 22987398

IUPAC1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane
SMILESCOC(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-18-3(8,6(15,16)17)2(7,4(9,10)11)5(12,13)14/h1H3
InChIKeyCRJUWMHHXMZFHE-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.69
Rot. Bonds2

About 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane

1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane (PubChem CID 22987398) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane
PubChem CID22987398
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane
SMILESCOC(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-18-3(8,6(15,16)17)2(7,4(9,10)11)5(12,13)14/h1H3
InChIKeyCRJUWMHHXMZFHE-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane (CID 22987398) is 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane is COC(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane?
The InChIKey is CRJUWMHHXMZFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c1-18-3(8,6(15,16)17)2(7,4(9,10)11)5(12,13)14/h1H3.
What are the key properties of 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane?
1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane has a molecular weight of 300.07 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,4,4-octafluoro-2-methoxy-3-(trifluoromethyl)butane is sourced from PubChem (CID 22987398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).