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

C15H16FIO2 — CID 70220005

IUPAC5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)c(I)cc1C2=O
InChIInChI=1S/C15H16FIO2/c1-19-10-2-4-15(5-3-10)8-9-6-12(16)13(17)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3
InChIKeySPNWUIAGUSONFO-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.74
Rot. Bonds1

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

5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (PubChem CID 70220005) has the molecular formula C15H16FIO2 and a molecular weight of 374.19 g/mol. Its IUPAC name is 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.

Molecular Properties

Compound Name5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
PubChem CID70220005
Molecular FormulaC15H16FIO2
Molecular Weight374.19 g/mol
Exact Mass374.02
IUPAC Name5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one
SMILESCOC1CCC2(CC1)Cc1cc(F)c(I)cc1C2=O
InChIInChI=1S/C15H16FIO2/c1-19-10-2-4-15(5-3-10)8-9-6-12(16)13(17)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3
InChIKeySPNWUIAGUSONFO-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The IUPAC name of 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one (CID 70220005) is 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one.
What is the SMILES notation for 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The canonical SMILES for 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is COC1CCC2(CC1)Cc1cc(F)c(I)cc1C2=O.
What is the InChIKey of 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
The InChIKey is SPNWUIAGUSONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FIO2/c1-19-10-2-4-15(5-3-10)8-9-6-12(16)13(17)7-11(9)14(15)18/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one?
5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one has a molecular weight of 374.19 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-iodo-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-one is sourced from PubChem (CID 70220005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).