2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane

C10H12F8O — CID 90188181

IUPAC2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane
SMILESCC(C)CCC1(F)OC(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F8O/c1-5(2)3-4-7(12)9(15,16)10(17,18)8(13,14)6(11)19-7/h5-6H,3-4H2,1-2H3
InChIKeyPRDWWAFMECXKQM-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.32
Rot. Bonds3

About 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane

2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane (PubChem CID 90188181) has the molecular formula C10H12F8O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane
PubChem CID90188181
Molecular FormulaC10H12F8O
Molecular Weight300.19 g/mol
Exact Mass300.08
IUPAC Name2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane
SMILESCC(C)CCC1(F)OC(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H12F8O/c1-5(2)3-4-7(12)9(15,16)10(17,18)8(13,14)6(11)19-7/h5-6H,3-4H2,1-2H3
InChIKeyPRDWWAFMECXKQM-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.32
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

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
Difluorothromboxane
CID 129674200
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
2-(1,2,2,3,3,4,4,5-Octafluorocyclopentyl)oxane
CID 13451009
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
CID 18787828
1,1,1-Trifluoro-2-(octoxymethyl)heptane
CID 22002805
2-[1,1,2,2,3,4,4,4-Octafluoro-3-(trifluoromethyl)butyl]oxane
CID 23443849
2,3,4,5-Tetrafluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
CID 54065018
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-methyl-7-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonan-3-yl)oxynonane
CID 56999091

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane?
The IUPAC name of 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane (CID 90188181) is 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane.
What is the SMILES notation for 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane?
The canonical SMILES for 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane is CC(C)CCC1(F)OC(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane?
The InChIKey is PRDWWAFMECXKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8O/c1-5(2)3-4-7(12)9(15,16)10(17,18)8(13,14)6(11)19-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane?
2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane has a molecular weight of 300.19 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6-octafluoro-2-(3-methylbutyl)oxane is sourced from PubChem (CID 90188181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).