2-(2,2,3,3,3-pentafluoropropoxy)oxane

C8H11F5O2 — CID 18927641

IUPAC2-(2,2,3,3,3-pentafluoropropoxy)oxane
SMILESFC(F)(F)C(F)(F)COC1CCCCO1
InChIInChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)5-15-6-3-1-2-4-14-6/h6H,1-5H2
InChIKeyLARNFFAVGUEWCB-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.73
Rot. Bonds3

About 2-(2,2,3,3,3-pentafluoropropoxy)oxane

2-(2,2,3,3,3-pentafluoropropoxy)oxane (PubChem CID 18927641) has the molecular formula C8H11F5O2 and a molecular weight of 234.16 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxy)oxane.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxy)oxane
PubChem CID18927641
Molecular FormulaC8H11F5O2
Molecular Weight234.16 g/mol
Exact Mass234.07
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxy)oxane
SMILESFC(F)(F)C(F)(F)COC1CCCCO1
InChIInChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)5-15-6-3-1-2-4-14-6/h6H,1-5H2
InChIKeyLARNFFAVGUEWCB-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-2-(2,2,2-trifluoroethoxy)-
CID 543322
2-(1,1,3,3,3-Pentafluoroprop-1-en-2-yloxy)oxane
CID 14068372
2-(4-Bromo-4,4-difluoro-but-2-ynyloxy)-tetrahydro-pyran
CID 59138031
2-(4-Fluorobutoxy)oxane
CID 59512815
2-[3-[2-(2,2,2-Trifluoroethoxy)ethoxy]propoxy]oxane
CID 163671686
2-[3-(Trifluoromethylselanyl)prop-2-ynoxy]oxane
CID 178336568
(2R)-2-(2,2,2-trifluoroethoxy)oxane
CID 15939308
3-Fluoro-2-methoxyoxane
CID 13467884
(2R,3S)-3-fluoro-2-methoxyoxane
CID 13467885
(2R,3R)-3-fluoro-2-methoxyoxane
CID 13467886
2H-Pyran, tetrahydro-2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-
CID 14068370
2-(2-Fluoroethoxy)oxane
CID 14662080

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)oxane?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)oxane (CID 18927641) is 2-(2,2,3,3,3-pentafluoropropoxy)oxane.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxy)oxane?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxy)oxane is FC(F)(F)C(F)(F)COC1CCCCO1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxy)oxane?
The InChIKey is LARNFFAVGUEWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O2/c9-7(10,8(11,12)13)5-15-6-3-1-2-4-14-6/h6H,1-5H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxy)oxane?
2-(2,2,3,3,3-pentafluoropropoxy)oxane has a molecular weight of 234.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxy)oxane is sourced from PubChem (CID 18927641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).