(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane

C8F16O — CID 23236485

IUPAC(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(6(17,18)19)2(10,11)5(16,25-8(1,23)24)3(12,13)4(14,15)7(20,21)22/t1-,5-/m1/s1
InChIKeyJDPRCUXKDQZICF-ITUWHPIWSA-N
MW416.06 g/mol
LogP5.01
Rot. Bonds2

About (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane

(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane (PubChem CID 23236485) has the molecular formula C8F16O and a molecular weight of 416.06 g/mol. Its IUPAC name is (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
PubChem CID23236485
Molecular FormulaC8F16O
Molecular Weight416.06 g/mol
Exact Mass415.97
IUPAC Name(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8F16O/c9-1(6(17,18)19)2(10,11)5(16,25-8(1,23)24)3(12,13)4(14,15)7(20,21)22/t1-,5-/m1/s1
InChIKeyJDPRCUXKDQZICF-ITUWHPIWSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane?
The IUPAC name of (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane (CID 23236485) is (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane.
What is the SMILES notation for (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane?
The canonical SMILES for (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)[C@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F.
What is the InChIKey of (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane?
The InChIKey is JDPRCUXKDQZICF-ITUWHPIWSA-N. The full InChI is InChI=1S/C8F16O/c9-1(6(17,18)19)2(10,11)5(16,25-8(1,23)24)3(12,13)4(14,15)7(20,21)22/t1-,5-/m1/s1.
What are the key properties of (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane?
(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane has a molecular weight of 416.06 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 23236485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).