4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene

C11H8F6O — CID 58679547

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C(=C1OC2C3C=CC(C3)C12)C(F)(F)F
InChIInChI=1S/C11H8F6O/c12-10(13,14)9(11(15,16)17)8-6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyNGYTWSRFISHOKO-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.59
Rot. Bonds

About 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene

4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene (PubChem CID 58679547) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene
PubChem CID58679547
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene
SMILESFC(F)(F)C(=C1OC2C3C=CC(C3)C12)C(F)(F)F
InChIInChI=1S/C11H8F6O/c12-10(13,14)9(11(15,16)17)8-6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2
InChIKeyNGYTWSRFISHOKO-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.59
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-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene (CID 58679547) is 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene is FC(F)(F)C(=C1OC2C3C=CC(C3)C12)C(F)(F)F.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
The InChIKey is NGYTWSRFISHOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c12-10(13,14)9(11(15,16)17)8-6-4-1-2-5(3-4)7(6)18-8/h1-2,4-7H,3H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene?
4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene has a molecular weight of 270.17 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3-oxatricyclo[4.2.1.02,5]non-7-ene is sourced from PubChem (CID 58679547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).