1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane

C8H9F9 — CID 23236215

IUPAC1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane
SMILESCCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h2-4H2,1H3
InChIKeyGAEIEMRXPMGXLB-UHFFFAOYSA-N
MW276.14 g/mol
LogP4.85
Rot. Bonds3

About 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane

1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane (PubChem CID 23236215) has the molecular formula C8H9F9 and a molecular weight of 276.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane.

Molecular Properties

Compound Name1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane
PubChem CID23236215
Molecular FormulaC8H9F9
Molecular Weight276.14 g/mol
Exact Mass276.06
IUPAC Name1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane
SMILESCCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h2-4H2,1H3
InChIKeyGAEIEMRXPMGXLB-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane?
The IUPAC name of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane (CID 23236215) is 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane.
What is the SMILES notation for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane?
The canonical SMILES for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane is CCCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane?
The InChIKey is GAEIEMRXPMGXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9/c1-2-3-4-5(6(9,10)11,7(12,13)14)8(15,16)17/h2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane?
1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane has a molecular weight of 276.14 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2,2-bis(trifluoromethyl)hexane is sourced from PubChem (CID 23236215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).