1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C7H7F3O — CID 86240490

IUPAC1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C12C=CC(CC1)O2
InChIInChI=1S/C7H7F3O/c8-7(9,10)6-3-1-5(11-6)2-4-6/h1,3,5H,2,4H2
InChIKeyZKLYYBGAPIXHKR-UHFFFAOYSA-N
MW164.13 g/mol
LogP2.04
Rot. Bonds

About 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 86240490) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID86240490
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C12C=CC(CC1)O2
InChIInChI=1S/C7H7F3O/c8-7(9,10)6-3-1-5(11-6)2-4-6/h1,3,5H,2,4H2
InChIKeyZKLYYBGAPIXHKR-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.04
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

5,6-Difluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 14043961
(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
5-(Trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59046585
3,3-Difluoro-2-oxabicyclo[2.2.1]hept-5-ene
CID 67217225
4,5-Difluoro-2-oxabicyclo[2.2.1]hept-5-ene
CID 67217227
1-Fluoro-7-oxabicyclo[2.2.1]hept-2-ene
CID 86240486
5,6-Bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 87988876
5,6-Difluoro-5-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 140083719
1-Fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 141311883
5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 143087866

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 86240490) is 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is FC(F)(F)C12C=CC(CC1)O2.
What is the InChIKey of 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is ZKLYYBGAPIXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-7(9,10)6-3-1-5(11-6)2-4-6/h1,3,5H,2,4H2.
What are the key properties of 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 164.13 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 86240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).