3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane

C11H21F3O — CID 156891957

IUPAC3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane
SMILESCOC(F)(C(C)(C)C)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(12,13)11(14,15-7)9(4,5)6/h1-7H3
InChIKeyXVOWWTHGFYVQPA-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.03
Rot. Bonds2

About 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane

3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane (PubChem CID 156891957) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane
PubChem CID156891957
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane
SMILESCOC(F)(C(C)(C)C)C(F)(F)C(C)(C)C
InChIInChI=1S/C11H21F3O/c1-8(2,3)10(12,13)11(14,15-7)9(4,5)6/h1-7H3
InChIKeyXVOWWTHGFYVQPA-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane?
The IUPAC name of 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane (CID 156891957) is 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane.
What is the SMILES notation for 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane?
The canonical SMILES for 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane is COC(F)(C(C)(C)C)C(F)(F)C(C)(C)C.
What is the InChIKey of 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane?
The InChIKey is XVOWWTHGFYVQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-8(2,3)10(12,13)11(14,15-7)9(4,5)6/h1-7H3.
What are the key properties of 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane?
3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane has a molecular weight of 226.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trifluoro-4-methoxy-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 156891957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).