1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane

C8HF17 — CID 15717416

IUPAC1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane
SMILESFC(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF17/c9-1(3(10,11)12)2(6(17,18)19,7(20,21)22)4(13,14)5(15,16)8(23,24)25/h1H
InChIKeyJKCQJJNDRAABBM-UHFFFAOYSA-N
MW420.06 g/mol
LogP5.83
Rot. Bonds3

About 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane

1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane (PubChem CID 15717416) has the molecular formula C8HF17 and a molecular weight of 420.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane
PubChem CID15717416
Molecular FormulaC8HF17
Molecular Weight420.06 g/mol
Exact Mass419.98
IUPAC Name1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane
SMILESFC(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8HF17/c9-1(3(10,11)12)2(6(17,18)19,7(20,21)22)4(13,14)5(15,16)8(23,24)25/h1H
InChIKeyJKCQJJNDRAABBM-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.06
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane (CID 15717416) is 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane is FC(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane?
The InChIKey is JKCQJJNDRAABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF17/c9-1(3(10,11)12)2(6(17,18)19,7(20,21)22)4(13,14)5(15,16)8(23,24)25/h1H.
What are the key properties of 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane?
1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane has a molecular weight of 420.06 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,6,6,6-undecafluoro-4,4-bis(trifluoromethyl)hexane is sourced from PubChem (CID 15717416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).