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

C15H17FO2 — CID 58197557

IUPAC4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1c(F)cccc1C2=O
InChIInChI=1S/C15H17FO2/c1-18-10-5-7-15(8-6-10)9-12-11(14(15)17)3-2-4-13(12)16/h2-4,10H,5-9H2,1H3
InChIKeyBZKLHPIVCJUNMU-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.14
Rot. Bonds1

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

4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197557) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197557
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1c(F)cccc1C2=O
InChIInChI=1S/C15H17FO2/c1-18-10-5-7-15(8-6-10)9-12-11(14(15)17)3-2-4-13(12)16/h2-4,10H,5-9H2,1H3
InChIKeyBZKLHPIVCJUNMU-UHFFFAOYSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-2,2-dimethyl-5-fluoro-1H-inden-1-one
CID 55265304
2',2'-dimethylspiro[3H-indene-2,4'-oxane]-1-one
CID 3112829
2-(4-fluorophenyl)-2-methyl-3H-inden-1-one
CID 11593904
3-butyl-5-fluoro-3-phenyl-2H-inden-1-one
CID 86051126
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136
(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one
CID 134954828
2-(3-fluorophenyl)-2-methyl-3H-inden-1-one
CID 138977554
(2S)-5-fluoro-2-methyl-2-(2-methylphenyl)-3H-inden-1-one
CID 138984584
(1R,4S,4aR,9aR)-9a-acetyl-7-fluoro-1,4-dimethyl-4,4a-dihydro-1H-fluoren-9-one
CID 168330711
pentan-3-yl (2R)-2-fluoro-3-oxo-1H-indene-2-carboxylate
CID 176438868
Dispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-[2H]inden]-1''(3''H)-one
CID 380762
2-[(E)-but-2-enyl]-6-fluoro-3,3-dimethyl-2H-inden-1-one
CID 10657210

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197557) is 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1c(F)cccc1C2=O.
What is the InChIKey of 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is BZKLHPIVCJUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-18-10-5-7-15(8-6-10)9-12-11(14(15)17)3-2-4-13(12)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 248.30 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).