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

C9H13F7O — CID 59492085

IUPAC1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
SMILESCCC(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF
InChIInChI=1S/C9H13F7O/c1-4-6(2,11)8(13,14)17-9(15,16)7(3,12)5-10/h4-5H2,1-3H3
InChIKeyNTKKVOIVWRAKJP-UHFFFAOYSA-N
MW270.19 g/mol
LogP4.02
Rot. Bonds6

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

1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane (PubChem CID 59492085) has the molecular formula C9H13F7O and a molecular weight of 270.19 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
PubChem CID59492085
Molecular FormulaC9H13F7O
Molecular Weight270.19 g/mol
Exact Mass270.09
IUPAC Name1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
SMILESCCC(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF
InChIInChI=1S/C9H13F7O/c1-4-6(2,11)8(13,14)17-9(15,16)7(3,12)5-10/h4-5H2,1-3H3
InChIKeyNTKKVOIVWRAKJP-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1,1,1,2,3-pentafluoro-2-(fluoromethyl)-3-methylpentane
CID 89245722
1,1,2,2,3,3,4-heptafluoro-4-methyl-1-(1,1,1,2,2-pentafluoro-3-methylpentan-3-yl)oxyhexane
CID 118422545
1,1,2-trifluoro-2-methyl-1-(1,1,2-trifluoro-2-methylpropoxy)propane
CID 87276476
1,1,1-trichloro-2-fluoro-2-methylbutane
CID 88824769
1,1,1,2,3-pentafluoro-2,3-dimethylpentane
CID 88907559
2-[difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 88866206
1-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-(1,1,2-trifluoroethoxy)ethane
CID 131973030
2-[difluoro-(1,1,1-trifluoro-3-methylpentan-3-yl)oxymethyl]-1,1,1,2,3-pentafluoro-3-methylpentane
CID 89135339
difluoromethane;fluoroethane;1-fluoro-2-methyl-2-(1,1,2,2,2-pentafluoroethoxy)propane;methyl hypofluorite;1,1,1-trifluoropropane
CID 123616702
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluorobutoxy)ethanethiol
CID 118098168
ethane;2-fluoro-2-methylbutane
CID 143329956
1-(1,1-difluoropropoxy)-2-[1-(1,1-difluoropropoxy)-1-fluoroethoxy]-1,1-difluoro-2-methylpropane
CID 154595647

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The IUPAC name of 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane (CID 59492085) is 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane.
What is the SMILES notation for 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The canonical SMILES for 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane is CCC(C)(F)C(F)(F)OC(F)(F)C(C)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
The InChIKey is NTKKVOIVWRAKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F7O/c1-4-6(2,11)8(13,14)17-9(15,16)7(3,12)5-10/h4-5H2,1-3H3.
What are the key properties of 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane?
1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane has a molecular weight of 270.19 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane is sourced from PubChem (CID 59492085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).