4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane

C11H21F3 — CID 137409312

IUPAC4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
SMILESCCC(C)(CC)CC(C)(C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-6-10(5,7-2)8-9(3,4)11(12,13)14/h6-8H2,1-5H3
InChIKeyGJJOENOBZMWXRS-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.79
Rot. Bonds4

About 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane

4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane (PubChem CID 137409312) has the molecular formula C11H21F3 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
PubChem CID137409312
Molecular FormulaC11H21F3
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane
SMILESCCC(C)(CC)CC(C)(C)C(F)(F)F
InChIInChI=1S/C11H21F3/c1-6-10(5,7-2)8-9(3,4)11(12,13)14/h6-8H2,1-5H3
InChIKeyGJJOENOBZMWXRS-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 59742437
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CID 143328448
ethane;1,1,1-trifluoro-2,2-dimethylpentane
CID 157037370
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
4-ethyl-N,N,2,4-tetramethylhexan-2-amine
CID 134476921
3-ethyl-3-methylpentane;methanol
CID 143799596
ethane;2-fluoro-2-methylbutane
CID 143329956
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
CID 162585423
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
4,4-difluoro-3,3,5-trimethyl-5-(trifluoromethyl)heptane
CID 87075252

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane?
The IUPAC name of 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane (CID 137409312) is 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane.
What is the SMILES notation for 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane?
The canonical SMILES for 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane is CCC(C)(CC)CC(C)(C)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane?
The InChIKey is GJJOENOBZMWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3/c1-6-10(5,7-2)8-9(3,4)11(12,13)14/h6-8H2,1-5H3.
What are the key properties of 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane?
4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane has a molecular weight of 210.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluoro-2,2,4-trimethylhexane is sourced from PubChem (CID 137409312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).