3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane

C16H26F4O2 — CID 169488922

IUPAC3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane
SMILESFC1(F)OCCC1CCCCCCCCC1CCOC1(F)F
InChIInChI=1S/C16H26F4O2/c17-15(18)13(9-11-21-15)7-5-3-1-2-4-6-8-14-10-12-22-16(14,19)20/h13-14H,1-12H2
InChIKeyRJBYKGKWKBISRJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.37
Rot. Bonds9

About 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane

3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane (PubChem CID 169488922) has the molecular formula C16H26F4O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane.

Molecular Properties

Compound Name3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane
PubChem CID169488922
Molecular FormulaC16H26F4O2
Molecular Weight326.37 g/mol
Exact Mass326.19
IUPAC Name3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane
SMILESFC1(F)OCCC1CCCCCCCCC1CCOC1(F)F
InChIInChI=1S/C16H26F4O2/c17-15(18)13(9-11-21-15)7-5-3-1-2-4-6-8-14-10-12-22-16(14,19)20/h13-14H,1-12H2
InChIKeyRJBYKGKWKBISRJ-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 10424752
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-Ethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl)oxolane
CID 117878757
14-Butoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-methyltetradecane
CID 141127597
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyl-13-propoxytridecane
CID 141272292
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)-5-[2-[3-(trifluoromethyl)cyclopentyl]ethyl]oxolane
CID 173500457
2-Fluoro-3-heptyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 176396253
3-[2,2-Difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
CID 11733800
3-[2,2,3,3,4,4-Hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
CID 15525132
3-[3-(Oxolan-3-yl)propyl]oxolane
CID 21031371

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane?
The IUPAC name of 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane (CID 169488922) is 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane.
What is the SMILES notation for 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane?
The canonical SMILES for 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane is FC1(F)OCCC1CCCCCCCCC1CCOC1(F)F.
What is the InChIKey of 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane?
The InChIKey is RJBYKGKWKBISRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F4O2/c17-15(18)13(9-11-21-15)7-5-3-1-2-4-6-8-14-10-12-22-16(14,19)20/h13-14H,1-12H2.
What are the key properties of 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane?
3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane has a molecular weight of 326.37 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2,2-difluorooxolan-3-yl)octyl]-2,2-difluorooxolane is sourced from PubChem (CID 169488922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).