(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane

C6F12O — CID 22808848

IUPAC(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)3(10,5(14,15)16)19-6(1,17)18/t1-,3+/m1/s1
InChIKeyLLRDUIXNNHUYLY-GPKNORDASA-N
MW316.04 g/mol
LogP3.74
Rot. Bonds

About (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane

(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane (PubChem CID 22808848) has the molecular formula C6F12O and a molecular weight of 316.04 g/mol. Its IUPAC name is (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane.

Molecular Properties

Compound Name(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane
PubChem CID22808848
Molecular FormulaC6F12O
Molecular Weight316.04 g/mol
Exact Mass315.98
IUPAC Name(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane
SMILESFC(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)3(10,5(14,15)16)19-6(1,17)18/t1-,3+/m1/s1
InChIKeyLLRDUIXNNHUYLY-GPKNORDASA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.04
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4-Hexafluoro-5,5-bis(trifluoromethyl)tetrahydrofuran
CID 14709093
2,2,3,4,4,5-Hexafluoro-3,5-bis(trifluoromethyl)oxolane
CID 15091570
Perfluoro-2-methyl-tetrahydrofuran
CID 15091571
(3R,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane
CID 22808846
(3S,5R)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 22808847
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
CID 175884602
Heptafluoro-2-trifluoromethyl-tetrahydro-furan
CID 23236296
2,2,3,3,4,4,5-Heptafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
CID 19099136
2,2,3,3,4,5,5-Heptafluoro-4-(pentafluoroethyl)oxolane
CID 20388268
(3R,5S)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 23236426
(3R,5R)-2,2,3,4,4,5-hexafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)oxolane
CID 23236427
(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxolane
CID 23236428

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane?
The IUPAC name of (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane (CID 22808848) is (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane.
What is the SMILES notation for (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane?
The canonical SMILES for (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane is FC(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)C1(F)F.
What is the InChIKey of (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane?
The InChIKey is LLRDUIXNNHUYLY-GPKNORDASA-N. The full InChI is InChI=1S/C6F12O/c7-1(4(11,12)13)2(8,9)3(10,5(14,15)16)19-6(1,17)18/t1-,3+/m1/s1.
What are the key properties of (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane?
(3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane has a molecular weight of 316.04 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-2,2,3,4,4,5-hexafluoro-3,5-bis(trifluoromethyl)oxolane is sourced from PubChem (CID 22808848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).