1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane

C15H29F3O2 — CID 139396332

IUPAC1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane
SMILESCCC(C)(C)OC(C)(C)CCOC(C)(C)CC(F)(F)F
InChIInChI=1S/C15H29F3O2/c1-8-12(2,3)20-13(4,5)9-10-19-14(6,7)11-15(16,17)18/h8-11H2,1-7H3
InChIKeySMRHZQMWQFGABJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.11
Rot. Bonds8

About 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane

1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane (PubChem CID 139396332) has the molecular formula C15H29F3O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane
PubChem CID139396332
Molecular FormulaC15H29F3O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane
SMILESCCC(C)(C)OC(C)(C)CCOC(C)(C)CC(F)(F)F
InChIInChI=1S/C15H29F3O2/c1-8-12(2,3)20-13(4,5)9-10-19-14(6,7)11-15(16,17)18/h8-11H2,1-7H3
InChIKeySMRHZQMWQFGABJ-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane?
The IUPAC name of 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane (CID 139396332) is 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane is CCC(C)(C)OC(C)(C)CCOC(C)(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane?
The InChIKey is SMRHZQMWQFGABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3O2/c1-8-12(2,3)20-13(4,5)9-10-19-14(6,7)11-15(16,17)18/h8-11H2,1-7H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane?
1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane has a molecular weight of 298.39 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-3-[3-methyl-3-(2-methylbutan-2-yloxy)butoxy]butane is sourced from PubChem (CID 139396332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).