1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane

C9H14F6O — CID 59492087

IUPAC1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane
SMILESCC(F)C(C)C(F)(F)OC(F)(F)C(C)CF
InChIInChI=1S/C9H14F6O/c1-5(4-10)8(12,13)16-9(14,15)6(2)7(3)11/h5-7H,4H2,1-3H3
InChIKeyYJFYCDWDEQHCNG-UHFFFAOYSA-N
MW252.20 g/mol
LogP3.79
Rot. Bonds6

About 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane

1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane (PubChem CID 59492087) has the molecular formula C9H14F6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane.

Molecular Properties

Compound Name1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane
PubChem CID59492087
Molecular FormulaC9H14F6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane
SMILESCC(F)C(C)C(F)(F)OC(F)(F)C(C)CF
InChIInChI=1S/C9H14F6O/c1-5(4-10)8(12,13)16-9(14,15)6(2)7(3)11/h5-7H,4H2,1-3H3
InChIKeyYJFYCDWDEQHCNG-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
1,1,1,2-Tetrafluoro-3-methyl-2-(1,1,1,2-tetrafluoro-3-methylbutan-2-yl)oxybutane
CID 18913766
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
2-Methyl-1-(4,4,4-trifluorobutoxy)butane
CID 21657863
2-Methyl-1-(3,3,3-trifluoropropoxy)butane
CID 21657872
2-(Butoxymethyl)-1,1,1-trifluorobutane
CID 22002934
1-(1,1-Difluoro-3-methylbutoxy)-1,1-difluoro-3-methylbutane
CID 22731629
1-(1,1-Difluoro-2-methylpropoxy)-1,1-difluoro-2-methylpropane
CID 22731637
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;ethane;fluoromethane;1,1,1,2,4,4,4-heptafluorobutane
CID 54061669
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
CID 54483821
1,1,2,2,3-Pentafluoro-1-(1,1,2,2,3-pentafluorobutoxy)butane
CID 54525706
1,1,1,2,3,3,4,4-Octafluoro-2-methyl-4-(1,1,2,2,3,4,4,4-octafluoro-3-methylbutoxy)butane
CID 57046444

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane?
The IUPAC name of 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane (CID 59492087) is 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane.
What is the SMILES notation for 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane?
The canonical SMILES for 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane is CC(F)C(C)C(F)(F)OC(F)(F)C(C)CF.
What is the InChIKey of 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane?
The InChIKey is YJFYCDWDEQHCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6O/c1-5(4-10)8(12,13)16-9(14,15)6(2)7(3)11/h5-7H,4H2,1-3H3.
What are the key properties of 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane?
1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane has a molecular weight of 252.20 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane is sourced from PubChem (CID 59492087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).