6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

C15H16BrFO2 — CID 58197930

IUPAC6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O
InChIInChI=1S/C15H16BrFO2/c1-19-10-2-4-15(5-3-10)8-9-6-13(17)12(16)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3
InChIKeyRZTSCEFRBVHVOI-UHFFFAOYSA-N
MW327.19 g/mol
LogP3.90
Rot. Bonds1

About 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one

6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197930) has the molecular formula C15H16BrFO2 and a molecular weight of 327.19 g/mol. Its IUPAC name is 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197930
Molecular FormulaC15H16BrFO2
Molecular Weight327.19 g/mol
Exact Mass326.03
IUPAC Name6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O
InChIInChI=1S/C15H16BrFO2/c1-19-10-2-4-15(5-3-10)8-9-6-13(17)12(16)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3
InChIKeyRZTSCEFRBVHVOI-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

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Related Compounds

4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197557
7-bromo-4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197703
6-bromo-1'-fluorospiro[3H-indene-2,4'-cyclohexene]-1-one
CID 58197869
6'-Bromo-4-(difluoromethoxy)spiro[cyclohexane-1,2'-indane]-1'-one
CID 58197980
5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 58197996
6-bromo-4-fluoro-2,2-dimethyl-3H-inden-1-one
CID 58951115
5-bromo-6-fluoro-2,2-dimethyl-3H-inden-1-one
CID 58951168
benzyl 6'-bromo-4-(difluoromethoxy)spiro[cyclohexane-1,2'-inden]-1'(3'H)-one
CID 67043563
5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 70220005
(3'S,5'R)-6-bromo-4'-(difluoromethoxy)-3',5'-dimethylspiro[3H-indene-2,1'-cyclohexane]-1-one
CID 73331769
6'-Bromo-5'-fluorospiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione
CID 86706693
6'-bromo-5'-fluoro-4-hydroxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-one
CID 86706694

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197930) is 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1cc(F)c(Br)cc1C2=O.
What is the InChIKey of 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is RZTSCEFRBVHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFO2/c1-19-10-2-4-15(5-3-10)8-9-6-13(17)12(16)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
6-bromo-5-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 6-bromo-5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).