2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane

C8H4F12O — CID 12730904

IUPAC2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)OCCC(C(F)(F)F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H4F12O/c9-4(10)3(6(12,13)14,7(15,16)17)1-2-21-5(4,11)8(18,19)20/h1-2H2
InChIKeyOIOHOSOMYSEBFO-UHFFFAOYSA-N
MW344.10 g/mol
LogP4.38
Rot. Bonds

About 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane

2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane (PubChem CID 12730904) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane.

Molecular Properties

Compound Name2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane
PubChem CID12730904
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane
SMILESFC(F)(F)C1(F)OCCC(C(F)(F)F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C8H4F12O/c9-4(10)3(6(12,13)14,7(15,16)17)1-2-21-5(4,11)8(18,19)20/h1-2H2
InChIKeyOIOHOSOMYSEBFO-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Di(1,1,2,2 tetrafluoroethyl)tetrahydro pyran
CID 129801489
2-Fluoro-2-(1,1,2,2,2-pentafluoroethyl)-3,3-bis(trifluoromethyl)oxolane
CID 12730902
2-Ethoxy-4-ethyl-1,1,1,2,3,3,5,5,6,6,6-undecafluoro-4-methylhexane
CID 19761930
(4R)-2,4-dimethyl-2,4-bis(trifluoromethyl)oxane
CID 57682225
2,4,4-Trimethyl-2-(trifluoromethyl)oxane
CID 57682260
4-Ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
CID 58488803
2,3-Dimethyl-4,4-bis(trifluoromethyl)oxane
CID 88538629
2,2,3,4,4,5,5,6-Octafluoro-3-(1,1,2,2,2-pentafluoroethyl)oxane
CID 88795069
2,3,3,4,5,6,6-Heptafluoro-2-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89139771
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89318755
4-Tert-butyl-2-(difluoromethyl)-2,3,3,4,5,6,6-heptafluoro-5-(trifluoromethyl)oxane
CID 89362185
2,5-Dimethyl-5-(trifluoromethyl)oxane
CID 129099381

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane?
The IUPAC name of 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane (CID 12730904) is 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane.
What is the SMILES notation for 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane?
The canonical SMILES for 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane is FC(F)(F)C1(F)OCCC(C(F)(F)F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane?
The InChIKey is OIOHOSOMYSEBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c9-4(10)3(6(12,13)14,7(15,16)17)1-2-21-5(4,11)8(18,19)20/h1-2H2.
What are the key properties of 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane?
2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane has a molecular weight of 344.10 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-2,4,4-tris(trifluoromethyl)oxane is sourced from PubChem (CID 12730904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).