5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H9F7O — CID 59024486

IUPAC5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC(F)(C1C2C=CC(O2)C1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F7O/c1-8(11,10(15,16)17)6-4-2-3-5(18-4)7(6)9(12,13)14/h2-7H,1H3
InChIKeyVKFIPMPNAUYUGN-UHFFFAOYSA-N
MW278.17 g/mol
LogP3.41
Rot. Bonds1

About 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 59024486) has the molecular formula C10H9F7O and a molecular weight of 278.17 g/mol. Its IUPAC name is 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID59024486
Molecular FormulaC10H9F7O
Molecular Weight278.17 g/mol
Exact Mass278.05
IUPAC Name5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCC(F)(C1C2C=CC(O2)C1C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F7O/c1-8(11,10(15,16)17)6-4-2-3-5(18-4)7(6)9(12,13)14/h2-7H,1H3
InChIKeyVKFIPMPNAUYUGN-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 59024486) is 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is CC(F)(C1C2C=CC(O2)C1C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is VKFIPMPNAUYUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F7O/c1-8(11,10(15,16)17)6-4-2-3-5(18-4)7(6)9(12,13)14/h2-7H,1H3.
What are the key properties of 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 278.17 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2-tetrafluoropropan-2-yl)-6-(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 59024486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).