8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane

C9H10F6O — CID 58481002

IUPAC8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane
SMILESFC(F)(F)C1(C(F)(F)F)OC2CCCCC21
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)16-7/h5-6H,1-4H2
InChIKeyHKGSDPBJCYHNQF-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.44
Rot. Bonds

About 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane

8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane (PubChem CID 58481002) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane.

Molecular Properties

Compound Name8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane
PubChem CID58481002
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane
SMILESFC(F)(F)C1(C(F)(F)F)OC2CCCCC21
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)16-7/h5-6H,1-4H2
InChIKeyHKGSDPBJCYHNQF-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane?
The IUPAC name of 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane (CID 58481002) is 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane.
What is the SMILES notation for 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane?
The canonical SMILES for 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane is FC(F)(F)C1(C(F)(F)F)OC2CCCCC21.
What is the InChIKey of 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane?
The InChIKey is HKGSDPBJCYHNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)16-7/h5-6H,1-4H2.
What are the key properties of 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane?
8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane has a molecular weight of 248.17 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-bis(trifluoromethyl)-7-oxabicyclo[4.2.0]octane is sourced from PubChem (CID 58481002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).