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

C13H25F3O — CID 123447562

IUPAC2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane
SMILESCC(C)CC(C)(COCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H25F3O/c1-10(2)7-12(6,11(3,4)5)8-17-9-13(14,15)16/h10H,7-9H2,1-6H3
InChIKeyFLMNLEBWTXBGBS-UHFFFAOYSA-N
MW254.34 g/mol
LogP4.66
Rot. Bonds5

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

2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane (PubChem CID 123447562) has the molecular formula C13H25F3O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane.

Molecular Properties

Compound Name2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane
PubChem CID123447562
Molecular FormulaC13H25F3O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane
SMILESCC(C)CC(C)(COCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H25F3O/c1-10(2)7-12(6,11(3,4)5)8-17-9-13(14,15)16/h10H,7-9H2,1-6H3
InChIKeyFLMNLEBWTXBGBS-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane?
The IUPAC name of 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane (CID 123447562) is 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane.
What is the SMILES notation for 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane?
The canonical SMILES for 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane is CC(C)CC(C)(COCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane?
The InChIKey is FLMNLEBWTXBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O/c1-10(2)7-12(6,11(3,4)5)8-17-9-13(14,15)16/h10H,7-9H2,1-6H3.
What are the key properties of 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane?
2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane has a molecular weight of 254.34 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetramethyl-3-(2,2,2-trifluoroethoxymethyl)hexane is sourced from PubChem (CID 123447562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).