2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane

C9H14F6O2 — CID 19828970

IUPAC2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-3-6(2)7(16-4-8(10,11)12)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyWORQGBWSIBXOJT-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane

2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane (PubChem CID 19828970) has the molecular formula C9H14F6O2 and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
PubChem CID19828970
Molecular FormulaC9H14F6O2
Molecular Weight268.20 g/mol
Exact Mass268.09
IUPAC Name2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
SMILESCCC(C)C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H14F6O2/c1-3-6(2)7(16-4-8(10,11)12)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3
InChIKeyWORQGBWSIBXOJT-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
CID 12643288
1-(2,2,3,3-Tetrafluoropropoxy)ethyl 2,2,3,3-tetrafluoropropyl ether
CID 12929800
1-[1-(2,2,2-Trifluoroethoxy)propoxy]butane
CID 129841693
3,3,3-Trifluoropropanal diisobutyl acetal
CID 11107526
3,3-Diethoxy-1,1,1-trifluoro-2-methylpropane
CID 13134820
1,1,1,2,2-Pentafluoro-3-[1-(2,2,3,3,3-pentafluoropropoxy)ethoxy]propane
CID 13628739
3,3,3-Trifluoropropanal dibutyl acetal
CID 15324359
1-[Difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane
CID 21052207
2-[Difluoro(1,1,2-trifluoropropoxy)methyl]-1,1,1,2,4,4,4-heptafluoro-3-(1,2,2,2-tetrafluoroethoxymethoxy)butane
CID 23529538
1-[1-(1,1-Difluoropropoxy)-2,2,2-trifluoroethoxy]-1,1,3,3,3-pentafluoropropane
CID 58114581
2-[2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2,3,3-trifluorobutane
CID 58820906
1,1,4-Trifluoro-2-(fluoromethyl)-1-[2,2,3,3-tetrafluoro-1-(trifluoromethoxy)propoxy]butane
CID 58913817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane?
The IUPAC name of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane (CID 19828970) is 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane is CCC(C)C(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane?
The InChIKey is WORQGBWSIBXOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O2/c1-3-6(2)7(16-4-8(10,11)12)17-5-9(13,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane?
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane has a molecular weight of 268.20 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 19828970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).