1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane

C11HF23 — CID 90858185

IUPAC1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane
SMILESFC(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11HF23/c12-1(3(13,7(20,21)22)8(23,24)25)2(5(14,15)16,6(17,18)19)4(9(26,27)28,10(29,30)31)11(32,33)34/h1H
InChIKeyMIIVTGVDQKXIIX-UHFFFAOYSA-N
MW570.08 g/mol
LogP7.94
Rot. Bonds3

About 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane

1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane (PubChem CID 90858185) has the molecular formula C11HF23 and a molecular weight of 570.08 g/mol. Its IUPAC name is 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane
PubChem CID90858185
Molecular FormulaC11HF23
Molecular Weight570.08 g/mol
Exact Mass569.97
IUPAC Name1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane
SMILESFC(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11HF23/c12-1(3(13,7(20,21)22)8(23,24)25)2(5(14,15)16,6(17,18)19)4(9(26,27)28,10(29,30)31)11(32,33)34/h1H
InChIKeyMIIVTGVDQKXIIX-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.08
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane (CID 90858185) is 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane is FC(C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane?
The InChIKey is MIIVTGVDQKXIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11HF23/c12-1(3(13,7(20,21)22)8(23,24)25)2(5(14,15)16,6(17,18)19)4(9(26,27)28,10(29,30)31)11(32,33)34/h1H.
What are the key properties of 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane?
1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane has a molecular weight of 570.08 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,6,6,6-octafluoro-2,2,3,3,5-pentakis(trifluoromethyl)hexane is sourced from PubChem (CID 90858185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).