5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C8H9F3O2 — CID 59046585

IUPAC5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)OCC1CC2C=CC1O2
InChIInChI=1S/C8H9F3O2/c9-8(10,11)12-4-5-3-6-1-2-7(5)13-6/h1-2,5-7H,3-4H2
InChIKeyGQRDPAINAULQIC-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.87
Rot. Bonds2

About 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 59046585) has the molecular formula C8H9F3O2 and a molecular weight of 194.15 g/mol. Its IUPAC name is 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID59046585
Molecular FormulaC8H9F3O2
Molecular Weight194.15 g/mol
Exact Mass194.06
IUPAC Name5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)OCC1CC2C=CC1O2
InChIInChI=1S/C8H9F3O2/c9-8(10,11)12-4-5-3-6-1-2-7(5)13-6/h1-2,5-7H,3-4H2
InChIKeyGQRDPAINAULQIC-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-Difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 14043961
rac-[(1R,2R,3S,4S)-3-(difluoromethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 131099359
4-Trifluoroethoxy-2-bicyclo[3.1.0]hexene
CID 129694105
(1S,4R,5R,6S)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 11805420
5,6-Dimethoxymethyl-7-oxanorbornene
CID 12161673
5-Methoxymethyl-7-oxa-2-norbornene
CID 22600968
(1S,4R,5R,6R)-5-fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 10538612
5-Fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 85177373
5-(1,1,1,2-Tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59024486
7-Oxabicyclo[2.2.1]hept-5-en-2-ylmethyl 2,2,2-trifluoroacetate
CID 60016224
3,3-Difluoro-2-oxabicyclo[2.2.1]hept-5-ene
CID 67217225
[Difluoro(7-oxabicyclo[2.2.1]hept-5-en-2-yl)methyl] acetate
CID 69021676

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 59046585) is 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)OCC1CC2C=CC1O2.
What is the InChIKey of 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is GQRDPAINAULQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O2/c9-8(10,11)12-4-5-3-6-1-2-7(5)13-6/h1-2,5-7H,3-4H2.
What are the key properties of 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 194.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59046585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).