2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

C14H20F4O2 — CID 58435928

IUPAC2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESFC(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C14H20F4O2/c15-13(16)14(17,18)10-6-9-5-8(10)7-11(9)20-12-3-1-2-4-19-12/h8-13H,1-7H2
InChIKeyQWVJJPATWVEOSZ-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.84
Rot. Bonds4

About 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane

2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (PubChem CID 58435928) has the molecular formula C14H20F4O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.

Molecular Properties

Compound Name2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
PubChem CID58435928
Molecular FormulaC14H20F4O2
Molecular Weight296.30 g/mol
Exact Mass296.14
IUPAC Name2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane
SMILESFC(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1
InChIInChI=1S/C14H20F4O2/c15-13(16)14(17,18)10-6-9-5-8(10)7-11(9)20-12-3-1-2-4-19-12/h8-13H,1-7H2
InChIKeyQWVJJPATWVEOSZ-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.84
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

2-[2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
CID 20771641
2-[(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873007
10-[2-(1-Ethoxyethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-methyl-3-oxatricyclo[6.2.1.02,7]undecane
CID 21301998
2-[2-(2-Bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
CID 21360394
2-[3-(2-Bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-yl]oxyoxane
CID 22976666
2-[2-(2-Bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane
CID 22976667
2-[3-(2-Bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl]oxyoxane
CID 22976668
2-[[2,7-Dimethyl-3-[4-methyl-2,2,5,5-tetrakis(trifluoromethyl)oxolan-3-yl]-7-bicyclo[2.2.1]heptanyl]oxy]oxane
CID 23405382
2-[[7-Fluoro-2-methyl-3-(2,2,5,5-tetrafluoro-4-methyloxolan-3-yl)-7-bicyclo[2.2.1]heptanyl]oxy]oxane
CID 23405419
5-Butan-2-yloxy-2,3-bis[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 57806675
2-[[5-[1,1,2,2-Tetrafluoro-2-(trioxidanylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]oxy]oxane
CID 58021693
2-[[5-[2,2-Difluoro-2-(trioxidanylsulfanyl)ethyl]-2-bicyclo[2.2.1]heptanyl]oxy]oxane
CID 58021730

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The IUPAC name of 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane (CID 58435928) is 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane.
What is the SMILES notation for 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The canonical SMILES for 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is FC(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1.
What is the InChIKey of 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
The InChIKey is QWVJJPATWVEOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4O2/c15-13(16)14(17,18)10-6-9-5-8(10)7-11(9)20-12-3-1-2-4-19-12/h8-13H,1-7H2.
What are the key properties of 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane?
2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane has a molecular weight of 296.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,1,2,2-tetrafluoroethyl)-2-bicyclo[2.2.1]heptanyl]oxy]oxane is sourced from PubChem (CID 58435928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).