1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane

C11H16F8 — CID 20770009

IUPAC1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
SMILESCCCC(F)(F)C(C)(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F8/c1-4-5-9(12,13)8(3,11(17,18)19)6-7(2)10(14,15)16/h7H,4-6H2,1-3H3
InChIKeyQKAZXCSMJDLKHK-UHFFFAOYSA-N
MW300.23 g/mol
LogP5.58
Rot. Bonds5

About 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane

1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane (PubChem CID 20770009) has the molecular formula C11H16F8 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane.

Molecular Properties

Compound Name1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
PubChem CID20770009
Molecular FormulaC11H16F8
Molecular Weight300.23 g/mol
Exact Mass300.11
IUPAC Name1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane
SMILESCCCC(F)(F)C(C)(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F8/c1-4-5-9(12,13)8(3,11(17,18)19)6-7(2)10(14,15)16/h7H,4-6H2,1-3H3
InChIKeyQKAZXCSMJDLKHK-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.23
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The IUPAC name of 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane (CID 20770009) is 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane.
What is the SMILES notation for 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The canonical SMILES for 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane is CCCC(F)(F)C(C)(CC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
The InChIKey is QKAZXCSMJDLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8/c1-4-5-9(12,13)8(3,11(17,18)19)6-7(2)10(14,15)16/h7H,4-6H2,1-3H3.
What are the key properties of 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane?
1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane has a molecular weight of 300.23 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5-pentafluoro-2,4-dimethyl-4-(trifluoromethyl)octane is sourced from PubChem (CID 20770009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).