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

C17H24F22O — CID 54061669

IUPAC2-[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
SMILESCC.CC.CF.CF.FC(CC(F)(F)F)C(F)(F)F.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O.C4H3F7.2C2H6.2CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;5-2(4(9,10)11)1-3(6,7)8;4*1-2/h2H,1H2;2H,1H2;2*1-2H3;2*1H3
InChIKeyMADQDYRDNWWPFA-UHFFFAOYSA-N
MW662.33 g/mol
LogP10.39
Rot. Bonds6

About 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

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 (PubChem CID 54061669) has the molecular formula C17H24F22O and a molecular weight of 662.33 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID54061669
Molecular FormulaC17H24F22O
Molecular Weight662.33 g/mol
Exact Mass662.15
IUPAC Name2-[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
SMILESCC.CC.CF.CF.FC(CC(F)(F)F)C(F)(F)F.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O.C4H3F7.2C2H6.2CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;5-2(4(9,10)11)1-3(6,7)8;4*1-2/h2H,1H2;2H,1H2;2*1-2H3;2*1H3
InChIKeyMADQDYRDNWWPFA-UHFFFAOYSA-N
XLogP10.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.33
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

1-(1,1-Difluoro-3-methylbutoxy)-1,1-difluoro-3-methylbutane
CID 22731629
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,2,3,4,4,4-octafluorobutane;fluoromethane
CID 54483821
1,1,1-Trifluoro-3-methyl-3-(4,4,4-trifluoro-2-methylbutan-2-yl)oxybutane
CID 57017041
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
2-[Difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
3-(1,1-Difluoroethyl)-3-[[2-(1,1-difluoroethyl)-2-ethyl-1,1,3,3-tetrafluorobutoxy]-difluoromethyl]-2,2,4,4-tetrafluoropentane
CID 59156988
1,1,2-Trifluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492085
1,1,2,3,3-Pentafluoro-2-methyl-1-(1,1,2,3-tetrafluoro-2-methylpropoxy)butane
CID 59492086
1,1,3-Trifluoro-2-methyl-1-(1,1,3-trifluoro-2-methylpropoxy)butane
CID 59492087
1-(1,1-Difluoropropoxy)-1,1,2-trifluoro-2-methylbutane
CID 59492089
2-[Difluoro-[1,1,2-trifluoro-2-(trifluoromethyl)butoxy]methyl]-1,1,1,2-tetrafluorobutane
CID 87993084
1,1,2,2,3,4,4-Heptafluoro-1-(1,1,2,2,3,4,4-heptafluoro-3-methylbutoxy)-3-methylbutane
CID 88668912

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CF.CF.FC(CC(F)(F)F)C(F)(F)F.FCC(F)(F)OC(F)(F)C(F)(C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is MADQDYRDNWWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O.C4H3F7.2C2H6.2CH3F/c8-1-3(10,11)21-7(19,20)4(12,6(16,17)18)2(9)5(13,14)15;5-2(4(9,10)11)1-3(6,7)8;4*1-2/h2H,1H2;2H,1H2;2*1-2H3;2*1H3.
What are the key properties of 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?
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 has a molecular weight of 662.33 g/mol, XLogP of 10.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).