6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one

C10H8BrF3O2 — CID 101361842

IUPAC6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=C(Br)C2(C=C1C(F)(F)F)CCCO2
InChIInChI=1S/C10H8BrF3O2/c11-8-4-7(15)6(10(12,13)14)5-9(8)2-1-3-16-9/h4-5H,1-3H2
InChIKeyVZFHVCVDRJXCQK-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.89
Rot. Bonds

About 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one

6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one (PubChem CID 101361842) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one.

Molecular Properties

Compound Name6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one
PubChem CID101361842
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one
SMILESO=C1C=C(Br)C2(C=C1C(F)(F)F)CCCO2
InChIInChI=1S/C10H8BrF3O2/c11-8-4-7(15)6(10(12,13)14)5-9(8)2-1-3-16-9/h4-5H,1-3H2
InChIKeyVZFHVCVDRJXCQK-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The IUPAC name of 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one (CID 101361842) is 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one.
What is the SMILES notation for 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The canonical SMILES for 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one is O=C1C=C(Br)C2(C=C1C(F)(F)F)CCCO2.
What is the InChIKey of 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one?
The InChIKey is VZFHVCVDRJXCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-4-7(15)6(10(12,13)14)5-9(8)2-1-3-16-9/h4-5H,1-3H2.
What are the key properties of 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one?
6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one has a molecular weight of 297.07 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(trifluoromethyl)-1-oxaspiro[4.5]deca-6,9-dien-8-one is sourced from PubChem (CID 101361842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).