2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

C15H5F25O — CID 12672279

IUPAC2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(CC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F25O/c16-6(17,7(18,19)14(35,36)37)4(10(23,24)25,11(26,27)28)1-3-2-5(12(29,30)31,13(32,33)34)9(22,41-3)8(20,21)15(38,39)40/h3H,1-2H2
InChIKeyNCFUEMZHJCQQPD-UHFFFAOYSA-N
MW676.15 g/mol
LogP9.08
Rot. Bonds5

About 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane

2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (PubChem CID 12672279) has the molecular formula C15H5F25O and a molecular weight of 676.15 g/mol. Its IUPAC name is 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
PubChem CID12672279
Molecular FormulaC15H5F25O
Molecular Weight676.15 g/mol
Exact Mass675.99
IUPAC Name2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(CC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H5F25O/c16-6(17,7(18,19)14(35,36)37)4(10(23,24)25,11(26,27)28)1-3-2-5(12(29,30)31,13(32,33)34)9(22,41-3)8(20,21)15(38,39)40/h3H,1-2H2
InChIKeyNCFUEMZHJCQQPD-UHFFFAOYSA-N
XLogP9.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.15
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane with MolForge

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Related Compounds

2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 12626888
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)oxolane
CID 13271513
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)oxolane
CID 21967075
2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 23328478
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-methyloxolane
CID 68343130
3-(4,4-Difluoro-5,5-dimethylhexyl)-3-methyloxolane
CID 68343241
3-(3,3-Difluoro-4,4-dimethylpentyl)-3-methyloxolane
CID 68343262
3-(3,3-Difluoropentyl)-3-methyloxolane
CID 68343272
3-(6,6-Difluorooctyl)-3-methyloxolane
CID 68343292
2-(1,1-Difluoro-2,2-dimethylbutyl)-3-methyloxolane
CID 71126485
2,2-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxolane
CID 85858648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The IUPAC name of 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane (CID 12672279) is 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane.
What is the SMILES notation for 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The canonical SMILES for 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(CC1CC(C(F)(F)F)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)O1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
The InChIKey is NCFUEMZHJCQQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5F25O/c16-6(17,7(18,19)14(35,36)37)4(10(23,24)25,11(26,27)28)1-3-2-5(12(29,30)31,13(32,33)34)9(22,41-3)8(20,21)15(38,39)40/h3H,1-2H2.
What are the key properties of 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane?
2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane has a molecular weight of 676.15 g/mol, XLogP of 9.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 12672279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).