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

C15H17FO2 — CID 58197996

IUPAC5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)ccc1C2=O
InChIInChI=1S/C15H17FO2/c1-18-12-4-6-15(7-5-12)9-10-8-11(16)2-3-13(10)14(15)17/h2-3,8,12H,4-7,9H2,1H3
InChIKeyNARPAOSCLNRIOS-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.14
Rot. Bonds1

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

5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 58197996) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID58197996
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)ccc1C2=O
InChIInChI=1S/C15H17FO2/c1-18-12-4-6-15(7-5-12)9-10-8-11(16)2-3-13(10)14(15)17/h2-3,8,12H,4-7,9H2,1H3
InChIKeyNARPAOSCLNRIOS-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 58197996) is 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1cc(F)ccc1C2=O.
What is the InChIKey of 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is NARPAOSCLNRIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-18-12-4-6-15(7-5-12)9-10-8-11(16)2-3-13(10)14(15)17/h2-3,8,12H,4-7,9H2,1H3.
What are the key properties of 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
5-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 5-fluoro-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 58197996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).