2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane

C6H6F6O — CID 58957487

IUPAC2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane
SMILESFCC1C(F)COC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c7-1-3-4(8)2-13-6(11,12)5(3,9)10/h3-4H,1-2H2
InChIKeyQGDNGEZYSYXPOA-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.17
Rot. Bonds1

About 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane

2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane (PubChem CID 58957487) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane.

Molecular Properties

Compound Name2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane
PubChem CID58957487
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane
SMILESFCC1C(F)COC(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c7-1-3-4(8)2-13-6(11,12)5(3,9)10/h3-4H,1-2H2
InChIKeyQGDNGEZYSYXPOA-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.17
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

3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
4-(Trifluoromethyl)tetrahydro-2H-pyran
CID 54105449
2H-Pyran, 4-(difluoromethyl)tetrahydro-
CID 97890136
2,2,4,5,5-Pentafluoro-4-(fluoromethyl)oxane
CID 53839736
4-Ethyl-2,2,3,3,4,6,6-heptafluorooxane
CID 58488798
2,2,3,3-Tetrafluorooxane
CID 58957492
2,2,3,4,4,5,5,6-Octafluoro-3-(trifluoromethyl)oxane
CID 88794808
3-(Trifluoromethyl)oxane
CID 89156390
(5S)-2,2,3,3,4,5,6-heptafluoro-4-(1,1,2,2-tetrafluoroethyl)oxane
CID 89214814
4-(Fluoromethyl)oxane
CID 89380510
(3S)-3-(trifluoromethyl)oxane
CID 90101349
(3R)-3-(trifluoromethyl)oxane
CID 90101756

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane?
The IUPAC name of 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane (CID 58957487) is 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane.
What is the SMILES notation for 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane?
The canonical SMILES for 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane is FCC1C(F)COC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane?
The InChIKey is QGDNGEZYSYXPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c7-1-3-4(8)2-13-6(11,12)5(3,9)10/h3-4H,1-2H2.
What are the key properties of 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane?
2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane has a molecular weight of 208.10 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentafluoro-4-(fluoromethyl)oxane is sourced from PubChem (CID 58957487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).