2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane

C11H21F3 — CID 20625080

IUPAC2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane
SMILESCC(C)(C)CC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-9(2,3)7-8(10(4,5)6)11(12,13)14/h8H,7H2,1-6H3
InChIKeyYFOUHRNVZYOZJG-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.65
Rot. Bonds1

About 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane

2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane (PubChem CID 20625080) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane
PubChem CID20625080
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane
SMILESCC(C)(C)CC(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-9(2,3)7-8(10(4,5)6)11(12,13)14/h8H,7H2,1-6H3
InChIKeyYFOUHRNVZYOZJG-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane?
The IUPAC name of 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane (CID 20625080) is 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane.
What is the SMILES notation for 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane?
The canonical SMILES for 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane is CC(C)(C)CC(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane?
The InChIKey is YFOUHRNVZYOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-9(2,3)7-8(10(4,5)6)11(12,13)14/h8H,7H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane?
2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane has a molecular weight of 210.28 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-3-(trifluoromethyl)hexane is sourced from PubChem (CID 20625080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).