6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one

C14H12BrFO — CID 58197869

IUPAC6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one
SMILESO=C1c2cc(Br)ccc2CC12CC=C(F)CC2
InChIInChI=1S/C14H12BrFO/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-3,7H,4-6,8H2
InChIKeyYFQSOAFTZGPUGM-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.21
Rot. Bonds

About 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one

6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one (PubChem CID 58197869) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one.

Molecular Properties

Compound Name6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one
PubChem CID58197869
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one
SMILESO=C1c2cc(Br)ccc2CC12CC=C(F)CC2
InChIInChI=1S/C14H12BrFO/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-3,7H,4-6,8H2
InChIKeyYFQSOAFTZGPUGM-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one?
The IUPAC name of 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one (CID 58197869) is 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one.
What is the SMILES notation for 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one?
The canonical SMILES for 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one is O=C1c2cc(Br)ccc2CC12CC=C(F)CC2.
What is the InChIKey of 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one?
The InChIKey is YFQSOAFTZGPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c15-10-2-1-9-8-14(13(17)12(9)7-10)5-3-11(16)4-6-14/h1-3,7H,4-6,8H2.
What are the key properties of 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one?
6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one has a molecular weight of 295.15 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one is sourced from PubChem (CID 58197869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).