4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene

C11H11F7O — CID 23405425

IUPAC4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
SMILESCC1(F)OC(C)(C(F)(F)F)C2(C(F)(F)F)C=CC1C2
InChIInChI=1S/C11H11F7O/c1-7(12)6-3-4-9(5-6,11(16,17)18)8(2,19-7)10(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyBDNGZKYWVNOWLY-UHFFFAOYSA-N
MW292.19 g/mol
LogP4.15
Rot. Bonds

About 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene

4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene (PubChem CID 23405425) has the molecular formula C11H11F7O and a molecular weight of 292.19 g/mol. Its IUPAC name is 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
PubChem CID23405425
Molecular FormulaC11H11F7O
Molecular Weight292.19 g/mol
Exact Mass292.07
IUPAC Name4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene
SMILESCC1(F)OC(C)(C(F)(F)F)C2(C(F)(F)F)C=CC1C2
InChIInChI=1S/C11H11F7O/c1-7(12)6-3-4-9(5-6,11(16,17)18)8(2,19-7)10(13,14)15/h3-4,6H,5H2,1-2H3
InChIKeyBDNGZKYWVNOWLY-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 54.15
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 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene (CID 23405425) is 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene is CC1(F)OC(C)(C(F)(F)F)C2(C(F)(F)F)C=CC1C2.
What is the InChIKey of 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene?
The InChIKey is BDNGZKYWVNOWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7O/c1-7(12)6-3-4-9(5-6,11(16,17)18)8(2,19-7)10(13,14)15/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene?
4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene has a molecular weight of 292.19 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,4-dimethyl-1,2-bis(trifluoromethyl)-3-oxabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 23405425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).