3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane

C15H29F3 — CID 89233447

IUPAC3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane
SMILESCCC(C)(CC)C(C)(F)C(F)(F)C(C)(CC)CC
InChIInChI=1S/C15H29F3/c1-8-12(5,9-2)14(7,16)15(17,18)13(6,10-3)11-4/h8-11H2,1-7H3
InChIKeyCIKLLLKCYBMWGG-UHFFFAOYSA-N
MW266.39 g/mol
LogP6.00
Rot. Bonds7

About 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane

3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane (PubChem CID 89233447) has the molecular formula C15H29F3 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane.

Molecular Properties

Compound Name3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane
PubChem CID89233447
Molecular FormulaC15H29F3
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane
SMILESCCC(C)(CC)C(C)(F)C(F)(F)C(C)(CC)CC
InChIInChI=1S/C15H29F3/c1-8-12(5,9-2)14(7,16)15(17,18)13(6,10-3)11-4/h8-11H2,1-7H3
InChIKeyCIKLLLKCYBMWGG-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane?
The IUPAC name of 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane (CID 89233447) is 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane.
What is the SMILES notation for 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane?
The canonical SMILES for 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane is CCC(C)(CC)C(C)(F)C(F)(F)C(C)(CC)CC.
What is the InChIKey of 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane?
The InChIKey is CIKLLLKCYBMWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3/c1-8-12(5,9-2)14(7,16)15(17,18)13(6,10-3)11-4/h8-11H2,1-7H3.
What are the key properties of 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane?
3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane has a molecular weight of 266.39 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-4,4,5-trifluoro-3,5,6-trimethyloctane is sourced from PubChem (CID 89233447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).