7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

C15H16BrFO2 — CID 58197703

IUPAC7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1c(F)ccc(Br)c1C2=O
InChIInChI=1S/C15H16BrFO2/c1-19-9-4-6-15(7-5-9)8-10-12(17)3-2-11(16)13(10)14(15)18/h2-3,9H,4-8H2,1H3
InChIKeyQOYXIGLDSREAPT-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.90
Rot. Bonds1

About 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197703) has the molecular formula C15H16BrFO2 and a molecular weight of 327.19 g/mol. Its IUPAC name is 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197703
Molecular FormulaC15H16BrFO2
Molecular Weight327.19 g/mol
Exact Mass326.03
IUPAC Name7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1c(F)ccc(Br)c1C2=O
InChIInChI=1S/C15H16BrFO2/c1-19-9-4-6-15(7-5-9)8-10-12(17)3-2-11(16)13(10)14(15)18/h2-3,9H,4-8H2,1H3
InChIKeyQOYXIGLDSREAPT-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197703) is 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1c(F)ccc(Br)c1C2=O.
What is the InChIKey of 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is QOYXIGLDSREAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFO2/c1-19-9-4-6-15(7-5-9)8-10-12(17)3-2-11(16)13(10)14(15)18/h2-3,9H,4-8H2,1H3.
What are the key properties of 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 327.19 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).