1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane

C8H2F16O — CID 156806377

IUPAC1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane
SMILESFC(F)(F)C(F)(F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-2(10,5(13,14)15)1-25-3(6(16,17)18,7(19,20)21)4(11,12)8(22,23)24/h1H2
InChIKeyZDASYELNYGTLBW-UHFFFAOYSA-N
MW418.07 g/mol
LogP5.26
Rot. Bonds4

About 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane

1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane (PubChem CID 156806377) has the molecular formula C8H2F16O and a molecular weight of 418.07 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane.

Molecular Properties

Compound Name1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane
PubChem CID156806377
Molecular FormulaC8H2F16O
Molecular Weight418.07 g/mol
Exact Mass417.99
IUPAC Name1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane
SMILESFC(F)(F)C(F)(F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F16O/c9-2(10,5(13,14)15)1-25-3(6(16,17)18,7(19,20)21)4(11,12)8(22,23)24/h1H2
InChIKeyZDASYELNYGTLBW-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.07
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane with MolForge

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Related Compounds

1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
1-(2,2,3,3,4,4,4-heptafluorobutoxy)-3-(2,2,3,3,3-pentafluoropropoxy)propan-2-ol
CID 142737837
1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropoxy)ethanesulfonic acid
CID 14028422
2,2,3,3,3-pentafluoropropyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl carbonate
CID 99769571
1,1,1,2,2,4,4,5,5,5-decafluoro-3,3-bis(2,2,2-trifluoroethoxy)pentane
CID 10072322
1,2,3,3,4,4,5,5,6,6,6-undecafluoro-1-(2,2,3,3,3-pentafluoropropoxy)hex-1-ene
CID 175759797
1,1,1,2,2,3,3,4,4,5,6,6-dodecafluoro-6-(2,2,3,3,4,4,4-heptafluorobutoxy)hexane
CID 175759806
2,2,3,3,3-pentafluoropropyl bis(2,2,3,3-tetrafluoropropyl) phosphate
CID 87338363
CID 158938378
CID 158938378
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
1,1,1,2,2,3-hexafluoropropane;hydrate
CID 23202835

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane?
The IUPAC name of 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane (CID 156806377) is 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane.
What is the SMILES notation for 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane?
The canonical SMILES for 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane is FC(F)(F)C(F)(F)COC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane?
The InChIKey is ZDASYELNYGTLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16O/c9-2(10,5(13,14)15)1-25-3(6(16,17)18,7(19,20)21)4(11,12)8(22,23)24/h1H2.
What are the key properties of 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane?
1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane has a molecular weight of 418.07 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,4-octafluoro-3-(2,2,3,3,3-pentafluoropropoxy)-3-(trifluoromethyl)butane is sourced from PubChem (CID 156806377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).