1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane

C10H6F16O — CID 57315484

IUPAC1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
SMILESFC(F)(F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-5(12,3(7(15,16)17)8(18,19)20)1-27-2-6(13,14)4(9(21,22)23)10(24,25)26/h3-4H,1-2H2
InChIKeyIDSHNKGQGBGNNA-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.76
Rot. Bonds6

About 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane

1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane (PubChem CID 57315484) has the molecular formula C10H6F16O and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
PubChem CID57315484
Molecular FormulaC10H6F16O
Molecular Weight446.13 g/mol
Exact Mass446.02
IUPAC Name1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane
SMILESFC(F)(F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F16O/c11-5(12,3(7(15,16)17)8(18,19)20)1-27-2-6(13,14)4(9(21,22)23)10(24,25)26/h3-4H,1-2H2
InChIKeyIDSHNKGQGBGNNA-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane with MolForge

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Related Compounds

1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1,1,2,2,4,4,4-Heptafluoro-3-(iodomethyl)-1-(1,2,2,2-tetrafluoroethoxy)butane
CID 45933687
Bis[2,2-bis(trifluoromethyl)ethyl] ether
CID 57264302
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
1,1,2,2,3,3,4,4-Octafluoro-5-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]pentane
CID 91694313
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
1,1,1,2,3,3,3-Heptafluoro-2-[[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propoxy]methyl]propane
CID 18381086
2-(Difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
CID 18798724
1,1,1,2,3,3-Hexafluoro-4-(fluoromethoxy)-2-(trifluoromethyl)butane
CID 19063471
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4-hexafluorobutoxy)butane
CID 21019463

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane (CID 57315484) is 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane is FC(F)(F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
The InChIKey is IDSHNKGQGBGNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F16O/c11-5(12,3(7(15,16)17)8(18,19)20)1-27-2-6(13,14)4(9(21,22)23)10(24,25)26/h3-4H,1-2H2.
What are the key properties of 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane?
1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane has a molecular weight of 446.13 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-4-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butane is sourced from PubChem (CID 57315484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).