2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane

C14H26F2O — CID 134376243

IUPAC2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane
SMILESCC(C)(CC(F)F)CC(C)(C)CC1CCCO1
InChIInChI=1S/C14H26F2O/c1-13(2,8-11-6-5-7-17-11)10-14(3,4)9-12(15)16/h11-12H,5-10H2,1-4H3
InChIKeyZOLBQXRKCSHFDO-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.65
Rot. Bonds6

About 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane

2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane (PubChem CID 134376243) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane.

Molecular Properties

Compound Name2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane
PubChem CID134376243
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane
SMILESCC(C)(CC(F)F)CC(C)(C)CC1CCCO1
InChIInChI=1S/C14H26F2O/c1-13(2,8-11-6-5-7-17-11)10-14(3,4)9-12(15)16/h11-12H,5-10H2,1-4H3
InChIKeyZOLBQXRKCSHFDO-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane?
The IUPAC name of 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane (CID 134376243) is 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane.
What is the SMILES notation for 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane?
The canonical SMILES for 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane is CC(C)(CC(F)F)CC(C)(C)CC1CCCO1.
What is the InChIKey of 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane?
The InChIKey is ZOLBQXRKCSHFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-13(2,8-11-6-5-7-17-11)10-14(3,4)9-12(15)16/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane?
2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane has a molecular weight of 248.36 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-2,2,4,4-tetramethylhexyl)oxolane is sourced from PubChem (CID 134376243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).