2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane

C7H2F12O — CID 102034480

IUPAC2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
SMILESFC(F)C1(F)OC(F)(F)C(F)(F)C(F)(C(F)F)C1(F)F
InChIInChI=1S/C7H2F12O/c8-1(9)3(12)5(14,15)4(13,2(10)11)20-7(18,19)6(3,16)17/h1-2H
InChIKeyHNIQEVBUFQZBLX-UHFFFAOYSA-N
MW330.07 g/mol
LogP3.78
Rot. Bonds2

About 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane

2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane (PubChem CID 102034480) has the molecular formula C7H2F12O and a molecular weight of 330.07 g/mol. Its IUPAC name is 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane.

Molecular Properties

Compound Name2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
PubChem CID102034480
Molecular FormulaC7H2F12O
Molecular Weight330.07 g/mol
Exact Mass329.99
IUPAC Name2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
SMILESFC(F)C1(F)OC(F)(F)C(F)(F)C(F)(C(F)F)C1(F)F
InChIInChI=1S/C7H2F12O/c8-1(9)3(12)5(14,15)4(13,2(10)11)20-7(18,19)6(3,16)17/h1-2H
InChIKeyHNIQEVBUFQZBLX-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.07
LogP ≤ 53.78
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

2,2,3,3,4,4,5,6,6-Nonafluoro-5-(1,1,2,2,2-pentafluoroethyl)oxane
CID 23236431
2-(Difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane
CID 4136522
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
3-Ethyl-2,2,3,5,5,6,6-heptafluorooxane
CID 58488795
4-Ethyl-2,3,3,4,6,6-hexafluoro-2-(trifluoromethyl)oxane
CID 58488803
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
3-(Difluoromethyl)-2,2,3,4,4,5,6,6-octafluorooxane
CID 89360189
2,2,3,4,4,5,6,6-Octafluoro-3-(1,2,2,2-tetrafluoroethyl)oxane
CID 89360278

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The IUPAC name of 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane (CID 102034480) is 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane.
What is the SMILES notation for 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The canonical SMILES for 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane is FC(F)C1(F)OC(F)(F)C(F)(F)C(F)(C(F)F)C1(F)F.
What is the InChIKey of 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
The InChIKey is HNIQEVBUFQZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F12O/c8-1(9)3(12)5(14,15)4(13,2(10)11)20-7(18,19)6(3,16)17/h1-2H.
What are the key properties of 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane?
2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane has a molecular weight of 330.07 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethyl)-2,3,3,4,5,5,6,6-octafluorooxane is sourced from PubChem (CID 102034480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).