(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

C8F16O — CID 95054915

IUPAC(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6/t6-/m1/s1
InChIKeyFYJQJMIEZVMYSD-ZCFIWIBFSA-N
MW416.06 g/mol
LogP5.01
Rot. Bonds3

About (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (PubChem CID 95054915) has the molecular formula C8F16O and a molecular weight of 416.06 g/mol. Its IUPAC name is (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.

Molecular Properties

Compound Name(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
PubChem CID95054915
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6/t6-/m1/s1
InChIKeyFYJQJMIEZVMYSD-ZCFIWIBFSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.06
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,2-pentafluoroethyl)oxane
CID 12596606
2,2,3,3,4,4,5-heptafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxolane
CID 19026789
2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 88593540
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
CID 175884602
2,2,3,3,4,5-hexafluoro-4,5-bis(trifluoromethyl)oxolane
CID 71396792
(2S)-2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl)-2,3,3-trifluorooxirane
CID 98114912
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
CID 86219176
2-[3-[1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoro-3-(2,3,3-trifluorooxiran-2-yl)undecan-3-yl]oxy-1,1,1,2,2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-docosafluoroundecan-3-yl]-2,3,3-trifluorooxirane
CID 139957716
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
(2R,3S)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115471
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane;1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
CID 87173348
(2S,3R)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115470

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The IUPAC name of (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (CID 95054915) is (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.
What is the SMILES notation for (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The canonical SMILES for (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The InChIKey is FYJQJMIEZVMYSD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6/t6-/m1/s1.
What are the key properties of (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane has a molecular weight of 416.06 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is sourced from PubChem (CID 95054915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).