2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane

C10F18O — CID 582845

IUPAC2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane
SMILESFC(F)(F)C1(F)C(F)(F)OC2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10F18O/c11-1(9(24,25)26)3(12,13)2(29-10(1,27)28)4(14,15)6(18,19)8(22,23)7(20,21)5(2,16)17
InChIKeyLHQPJTIULDESRY-UHFFFAOYSA-N
MW478.07 g/mol
LogP5.44
Rot. Bonds

About 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane

2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane (PubChem CID 582845) has the molecular formula C10F18O and a molecular weight of 478.07 g/mol. Its IUPAC name is 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane
PubChem CID582845
Molecular FormulaC10F18O
Molecular Weight478.07 g/mol
Exact Mass477.97
IUPAC Name2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane
SMILESFC(F)(F)C1(F)C(F)(F)OC2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F
InChIInChI=1S/C10F18O/c11-1(9(24,25)26)3(12,13)2(29-10(1,27)28)4(14,15)6(18,19)8(22,23)7(20,21)5(2,16)17
InChIKeyLHQPJTIULDESRY-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.07
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane with MolForge

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Related Compounds

Perfluoro(1-oxaspiro[4.4]nonane)
CID 567768
Benzofuran, tetradecafluorooctahydro-
CID 582843
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
CID 175884682
Perfluoro(1-oxaspiro[4.5]decane)
CID 550260
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane
CID 11103279
2,2,3,3a,4,4,5,5,6,6,7,7,7a-Tridecafluoro-3-(trifluoromethyl)-1-benzofuran
CID 12609533
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]cyclohexane
CID 13709900
1-[Difluoro-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
CID 13709920
2,2,3,4,4,5-Hexafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,2-pentafluoroethyl)oxolane
CID 20388267
(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
CID 23236485
2,2,3,4,4,5-Hexafluoro-3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
CID 85610321
1,1,2,2,3,3,4,4,5,5-Decafluoro-6-(1,1,2,2,2-pentafluoroethoxy)-6-(trifluoromethyl)cyclohexane
CID 88353536

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane?
The IUPAC name of 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane (CID 582845) is 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane.
What is the SMILES notation for 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane?
The canonical SMILES for 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane is FC(F)(F)C1(F)C(F)(F)OC2(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(F)F.
What is the InChIKey of 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane?
The InChIKey is LHQPJTIULDESRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O/c11-1(9(24,25)26)3(12,13)2(29-10(1,27)28)4(14,15)6(18,19)8(22,23)7(20,21)5(2,16)17.
What are the key properties of 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane?
2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane has a molecular weight of 478.07 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,6,6,7,7,8,8,9,9,10,10-pentadecafluoro-3-(trifluoromethyl)-1-oxaspiro[4.5]decane is sourced from PubChem (CID 582845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).