2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane

C11H21F3 — CID 162570154

IUPAC2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
SMILESCC(C)C(C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-8(2)10(6,11(12,13)14)7-9(3,4)5/h8H,7H2,1-6H3
InChIKeyRUJNXMAOWINMKZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.65
Rot. Bonds2

About 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane

2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane (PubChem CID 162570154) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
PubChem CID162570154
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
SMILESCC(C)C(C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-8(2)10(6,11(12,13)14)7-9(3,4)5/h8H,7H2,1-6H3
InChIKeyRUJNXMAOWINMKZ-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Related Compounds

2,3-dimethyl-3-(trifluoromethyl)pentane
CID 129215911
2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
CID 134604983
1,1,1,5-tetrafluoro-2,4,5,6-tetramethyl-4-propan-2-yl-2-(trifluoromethyl)heptane
CID 162585393
2,5,5-trimethyl-3-propan-2-ylhexan-3-amine
CID 167343931
2,2,3,3-tetrafluoro-5,5-dimethylhexane
CID 88592335
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
3-fluoro-2,5,5-trimethyl-3-(trifluoromethyl)heptane
CID 121371775
2-methyl-2-(trifluoromethyl)butane-1,1-diol
CID 162587850
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
2-chloro-2-fluoro-3-methylbutane
CID 88897527
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane?
The IUPAC name of 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane (CID 162570154) is 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane.
What is the SMILES notation for 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane?
The canonical SMILES for 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane is CC(C)C(C)(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane?
The InChIKey is RUJNXMAOWINMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-8(2)10(6,11(12,13)14)7-9(3,4)5/h8H,7H2,1-6H3.
What are the key properties of 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane?
2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane has a molecular weight of 210.28 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane is sourced from PubChem (CID 162570154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).