2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane

C12H6F18O — CID 146454340

IUPAC2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane
SMILESCC1CC(C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C12H6F18O/c1-3-2-4(9(19,20)21,6(14,15)7(16,17)12(28,29)30)8(18,31-3)5(13,10(22,23)24)11(25,26)27/h3H,2H2,1H3
InChIKeyBMFSBYZCTUBXEU-UHFFFAOYSA-N
MW508.14 g/mol
LogP6.68
Rot. Bonds3

About 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane

2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane (PubChem CID 146454340) has the molecular formula C12H6F18O and a molecular weight of 508.14 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane
PubChem CID146454340
Molecular FormulaC12H6F18O
Molecular Weight508.14 g/mol
Exact Mass508.01
IUPAC Name2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane
SMILESCC1CC(C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C12H6F18O/c1-3-2-4(9(19,20)21,6(14,15)7(16,17)12(28,29)30)8(18,31-3)5(13,10(22,23)24)11(25,26)27/h3H,2H2,1H3
InChIKeyBMFSBYZCTUBXEU-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.14
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane with MolForge

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Related Compounds

Furan, 2,2,3,3,4,4-hexafluorotetrahydro-5-(2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl)-
CID 116761
2-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 12626888
Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
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
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2-(1,1,1,2,3,3,4,4,4-Nonafluorobutan-2-yl)oxolane
CID 21967075
4,5-Bis(1,1-difluoroethyl)-2,2,3,3,4-pentafluorooxolane
CID 59288803
2,2,3,3,4,5-Hexafluoro-4-methyl-5-(2-methylbutan-2-yl)oxolane
CID 129303998
2-(6,6-Difluoro-2,2,4,4-tetramethylhexyl)oxolane
CID 134376243
2,3-Difluoro-4,5-bis(1-fluoro-2,2-dimethylpropyl)oxolane
CID 138612249
2,3-Bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane
CID 139575644

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane?
The IUPAC name of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane (CID 146454340) is 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane?
The canonical SMILES for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane is CC1CC(C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane?
The InChIKey is BMFSBYZCTUBXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F18O/c1-3-2-4(9(19,20)21,6(14,15)7(16,17)12(28,29)30)8(18,31-3)5(13,10(22,23)24)11(25,26)27/h3H,2H2,1H3.
What are the key properties of 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane?
2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane has a molecular weight of 508.14 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 146454340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).