3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane

C13H22F6O — CID 90334186

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane
SMILESCC(C)(C)CC(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H22F6O/c1-10(2,3)7-8(11(4,5)6)20-9(12(14,15)16)13(17,18)19/h8-9H,7H2,1-6H3
InChIKeyYPVYIIFHMUVKES-UHFFFAOYSA-N
MW308.31 g/mol
LogP5.35
Rot. Bonds3

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane (PubChem CID 90334186) has the molecular formula C13H22F6O and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane
PubChem CID90334186
Molecular FormulaC13H22F6O
Molecular Weight308.31 g/mol
Exact Mass308.16
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane
SMILESCC(C)(C)CC(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H22F6O/c1-10(2,3)7-8(11(4,5)6)20-9(12(14,15)16)13(17,18)19/h8-9H,7H2,1-6H3
InChIKeyYPVYIIFHMUVKES-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane 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 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane (CID 90334186) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane is CC(C)(C)CC(OC(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane?
The InChIKey is YPVYIIFHMUVKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F6O/c1-10(2,3)7-8(11(4,5)6)20-9(12(14,15)16)13(17,18)19/h8-9H,7H2,1-6H3.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane has a molecular weight of 308.31 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 90334186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).