2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane

C8H4F12O — CID 89318755

IUPAC2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESCC1(F)OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)C1(F)F
InChIInChI=1S/C8H4F12O/c1-3(11)6(15,16)5(14,4(12,13)2(9)10)7(17,18)8(19,20)21-3/h2H,1H3
InChIKeyHBHVUOOXQNJCNA-UHFFFAOYSA-N
MW344.10 g/mol
LogP4.17
Rot. Bonds2

About 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane

2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane (PubChem CID 89318755) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
PubChem CID89318755
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane
SMILESCC1(F)OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)C1(F)F
InChIInChI=1S/C8H4F12O/c1-3(11)6(15,16)5(14,4(12,13)2(9)10)7(17,18)8(19,20)21-3/h2H,1H3
InChIKeyHBHVUOOXQNJCNA-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-Trifluoro-2,4,4-tris(trifluoromethyl)tetrahydro-2H-pyran
CID 12730904
2,2,3,3,4,5,5,6-Octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
CID 20591286
3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,2,3,3,4,4,5,6-Octafluoro-5-methyl-6-(trifluoromethyl)oxane
CID 53851250
2-(1,1-Difluoroethyl)-2,3,3,4,5,5,6,6-octafluoro-4-methyloxane
CID 57562038
2,2,3,3,4,6-Hexafluoro-6-(fluoromethyl)-5-(trifluoromethyl)oxane
CID 57667496
2-Ethyl-2,3,3,5,5,6,6-heptafluoro-4-methyloxane
CID 57693925
6-(1,1-Difluoroethyl)-4-ethyl-2,3,3,4,6-pentafluoro-2-(trifluoromethyl)oxane
CID 58249148
2-(1,1-Difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane
CID 58249149
6-Ethyl-2,2,3,3,4,6-hexafluoro-4-methyloxane
CID 58249152

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The IUPAC name of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane (CID 89318755) is 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane.
What is the SMILES notation for 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The canonical SMILES for 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane is CC1(F)OC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
The InChIKey is HBHVUOOXQNJCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c1-3(11)6(15,16)5(14,4(12,13)2(9)10)7(17,18)8(19,20)21-3/h2H,1H3.
What are the key properties of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane?
2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane has a molecular weight of 344.10 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoroethyl)oxane is sourced from PubChem (CID 89318755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).