3-methyl-1-(trifluoromethoxy)butane

C6H11F3O — CID 59366529

IUPAC3-methyl-1-(trifluoromethoxy)butane
SMILESCC(C)CCOC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2)3-4-10-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyBOYMSAMKWUVMFF-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.57
Rot. Bonds3

About 3-methyl-1-(trifluoromethoxy)butane

3-methyl-1-(trifluoromethoxy)butane (PubChem CID 59366529) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 3-methyl-1-(trifluoromethoxy)butane.

Molecular Properties

Compound Name3-methyl-1-(trifluoromethoxy)butane
PubChem CID59366529
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name3-methyl-1-(trifluoromethoxy)butane
SMILESCC(C)CCOC(F)(F)F
InChIInChI=1S/C6H11F3O/c1-5(2)3-4-10-6(7,8)9/h5H,3-4H2,1-2H3
InChIKeyBOYMSAMKWUVMFF-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Difluoromethoxy)butane
CID 23221702
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1,1,2,2,4,4,4-Heptafluoro-1-methoxy-3-(trifluoromethyl)butane
CID 21732774
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
1,1,1,2,3,3-Hexafluoro-4-methoxy-2-(trifluoromethyl)butane
CID 19063468
1,1,1-Trifluoro-4-methoxy-2-(methoxymethyl)butane
CID 20641211
1-(Trifluoromethoxy)butane
CID 20725973
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
3,3-Difluoro-1-methoxybutane
CID 20826506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(trifluoromethoxy)butane?
The IUPAC name of 3-methyl-1-(trifluoromethoxy)butane (CID 59366529) is 3-methyl-1-(trifluoromethoxy)butane.
What is the SMILES notation for 3-methyl-1-(trifluoromethoxy)butane?
The canonical SMILES for 3-methyl-1-(trifluoromethoxy)butane is CC(C)CCOC(F)(F)F.
What is the InChIKey of 3-methyl-1-(trifluoromethoxy)butane?
The InChIKey is BOYMSAMKWUVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-5(2)3-4-10-6(7,8)9/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-1-(trifluoromethoxy)butane?
3-methyl-1-(trifluoromethoxy)butane has a molecular weight of 156.15 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(trifluoromethoxy)butane is sourced from PubChem (CID 59366529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).