4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane

C15H29F3 — CID 143328448

IUPAC4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane
SMILESCCCC(C)(CC)CC(CC)(CCC)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-6-10-13(5,8-3)12-14(9-4,11-7-2)15(16,17)18/h6-12H2,1-5H3
InChIKeyZBHZQAZJQOPXQC-UHFFFAOYSA-N
MW266.39 g/mol
LogP6.35
Rot. Bonds8

About 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane

4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane (PubChem CID 143328448) has the molecular formula C15H29F3 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane.

Molecular Properties

Compound Name4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane
PubChem CID143328448
Molecular FormulaC15H29F3
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane
SMILESCCCC(C)(CC)CC(CC)(CCC)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-6-10-13(5,8-3)12-14(9-4,11-7-2)15(16,17)18/h6-12H2,1-5H3
InChIKeyZBHZQAZJQOPXQC-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane?
The IUPAC name of 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane (CID 143328448) is 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane.
What is the SMILES notation for 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane?
The canonical SMILES for 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane is CCCC(C)(CC)CC(CC)(CCC)C(F)(F)F.
What is the InChIKey of 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane?
The InChIKey is ZBHZQAZJQOPXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3/c1-6-10-13(5,8-3)12-14(9-4,11-7-2)15(16,17)18/h6-12H2,1-5H3.
What are the key properties of 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane?
4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane has a molecular weight of 266.39 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-4-methyl-6-(trifluoromethyl)nonane is sourced from PubChem (CID 143328448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).