1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane

C11H11F13 — CID 143403547

IUPAC1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
SMILESCCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F13/c1-2-5(8(13,14)15)3-6(9(16,17)18)4-7(12,10(19,20)21)11(22,23)24/h5-6H,2-4H2,1H3
InChIKeyARNKCUZDSUNVJA-UHFFFAOYSA-N
MW390.18 g/mol
LogP6.37
Rot. Bonds5

About 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane

1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane (PubChem CID 143403547) has the molecular formula C11H11F13 and a molecular weight of 390.18 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
PubChem CID143403547
Molecular FormulaC11H11F13
Molecular Weight390.18 g/mol
Exact Mass390.07
IUPAC Name1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane
SMILESCCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11F13/c1-2-5(8(13,14)15)3-6(9(16,17)18)4-7(12,10(19,20)21)11(22,23)24/h5-6H,2-4H2,1H3
InChIKeyARNKCUZDSUNVJA-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.18
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylbutan-2-ol
CID 162582866
6,7,7,7-tetrafluoro-4-(2-fluoro-2-methylpropyl)-6-(trifluoromethyl)hept-1-ene;8,9,9,9-tetrafluoro-4,6,8-tris(trifluoromethyl)non-1-ene
CID 91535959
(3R)-1,1,1-trifluoro-3-(trifluoromethyl)pentane
CID 170263516
[2-hydroxy-3-[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl]sulfanylpropyl]-trimethylazanium chloride
CID 162320824
2-(trifluoromethyl)butan-1-amine
CID 10351789
3,3,7,8,8,8-hexafluoro-5,7-bis(trifluoromethyl)octane-1-thiol
CID 59721664
1,1,1,2,6,6-hexafluoro-10-iodo-7,7,10-trimethyl-2,4-bis(trifluoromethyl)dodecane
CID 89292931
3,5-diethyl-4,4-difluoroheptane
CID 137390783
1,1,1,2,4,4,6,6,13,13,13-undecafluoro-12-iodo-2,8,10-tris(trifluoromethyl)tridecane
CID 59721653
9,9,11,11,13,14,14,14-octafluoro-3,5,7,13-tetrakis(trifluoromethyl)tetradecane-1-thiol
CID 59721655
molecular chlorine;7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octane-1-sulfonyl chloride;[7,8,8,8-tetrafluoro-3,5,7-tris(trifluoromethyl)octyl] thiocyanate
CID 160648075
1,2,2-trifluoro-3-(fluoromethyl)pentane
CID 162612958

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane?
The IUPAC name of 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane (CID 143403547) is 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane is CCC(CC(CC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane?
The InChIKey is ARNKCUZDSUNVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F13/c1-2-5(8(13,14)15)3-6(9(16,17)18)4-7(12,10(19,20)21)11(22,23)24/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane?
1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane has a molecular weight of 390.18 g/mol, XLogP of 6.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2,4,6-tris(trifluoromethyl)octane is sourced from PubChem (CID 143403547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).