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

C9H6F12O — CID 20591286

IUPAC2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
SMILESCC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,11)6(14,15)5(13)7(16,17)4(2,12)22-9(20,21)8(5,18)19/h1-2H3
InChIKeyUXLMTZJACAMGBZ-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.56
Rot. Bonds2

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

2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane (PubChem CID 20591286) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
PubChem CID20591286
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane
SMILESCC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C9H6F12O/c1-3(10,11)6(14,15)5(13)7(16,17)4(2,12)22-9(20,21)8(5,18)19/h1-2H3
InChIKeyUXLMTZJACAMGBZ-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.56
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-tetrafluoropropyl)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

3-(1,1-Difluoroethyl)-2,2,3,4,4,6-hexafluoro-6-methyloxane
CID 20700672
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
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
(4S)-3,3-difluoro-2,4,6-trimethyl-2,6-bis(trifluoromethyl)oxane
CID 57682218
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
3-(1,1-Difluoroethyl)-5-ethyl-2,2,3,5,6,6-hexafluorooxane
CID 58488788

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-tetrafluoropropyl)oxane?
The IUPAC name of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane (CID 20591286) is 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane.
What is the SMILES notation for 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane?
The canonical SMILES for 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane is CC(F)(F)C(F)(F)C1(F)C(F)(F)C(C)(F)OC(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-tetrafluoropropyl)oxane?
The InChIKey is UXLMTZJACAMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-3(10,11)6(14,15)5(13)7(16,17)4(2,12)22-9(20,21)8(5,18)19/h1-2H3.
What are the key properties of 2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane?
2,2,3,3,4,5,5,6-octafluoro-6-methyl-4-(1,1,2,2-tetrafluoropropyl)oxane has a molecular weight of 358.12 g/mol, XLogP of 4.56, 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-tetrafluoropropyl)oxane is sourced from PubChem (CID 20591286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).