3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene

C9H8F4O — CID 15537080

IUPAC3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)OC(F)(F)C2C3C=CC(C3)C21
InChIInChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2
InChIKeyYNDJLUXPBLTRFO-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.64
Rot. Bonds

About 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene

3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 15537080) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID15537080
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
SMILESFC1(F)OC(F)(F)C2C3C=CC(C3)C21
InChIInChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2
InChIKeyYNDJLUXPBLTRFO-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,7S)-3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 134993872
5-(2,2,3,3,3-Pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813233
5-(3,3,4,4,4-Pentafluorobutoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813239
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
5-[(1-Ethylcyclopentyl)oxy-difluoromethyl]bicyclo[2.2.1]hept-2-ene
CID 69021969
5-(3,3,3-Trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 71171150
5-[(1,1,2,4,4,5,5,6,6,6-Decafluoro-3-oxahexoxy)methyl]-bicyclo[2.2.1]hept-2-ene
CID 87073866
5-[[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 87711170
5-[[1,1,2-Trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 87729953
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)bicyclo[2.2.1]hept-2-ene
CID 89964495
5-[[3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 90206057
5-(Difluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 126765891

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene (CID 15537080) is 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene is FC1(F)OC(F)(F)C2C3C=CC(C3)C21.
What is the InChIKey of 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is YNDJLUXPBLTRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c10-8(11)6-4-1-2-5(3-4)7(6)9(12,13)14-8/h1-2,4-7H,3H2.
What are the key properties of 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene?
3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 208.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluoro-4-oxatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 15537080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).