5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one

C18H23FO3 — CID 67984303

IUPAC5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
SMILESCOC1CCC2(Cc3ccc(OCCCF)cc3C2)C(=O)C1
InChIInChI=1S/C18H23FO3/c1-21-15-5-6-18(17(20)10-15)11-13-3-4-16(9-14(13)12-18)22-8-2-7-19/h3-4,9,15H,2,5-8,10-12H2,1H3
InChIKeyIOBAUCXURPDTCV-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.28
Rot. Bonds5

About 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one

5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one (PubChem CID 67984303) has the molecular formula C18H23FO3 and a molecular weight of 306.38 g/mol. Its IUPAC name is 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one.

Molecular Properties

Compound Name5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
PubChem CID67984303
Molecular FormulaC18H23FO3
Molecular Weight306.38 g/mol
Exact Mass306.16
IUPAC Name5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one
SMILESCOC1CCC2(Cc3ccc(OCCCF)cc3C2)C(=O)C1
InChIInChI=1S/C18H23FO3/c1-21-15-5-6-18(17(20)10-15)11-13-3-4-16(9-14(13)12-18)22-8-2-7-19/h3-4,9,15H,2,5-8,10-12H2,1H3
InChIKeyIOBAUCXURPDTCV-UHFFFAOYSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The IUPAC name of 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one (CID 67984303) is 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one.
What is the SMILES notation for 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The canonical SMILES for 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one is COC1CCC2(Cc3ccc(OCCCF)cc3C2)C(=O)C1.
What is the InChIKey of 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
The InChIKey is IOBAUCXURPDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FO3/c1-21-15-5-6-18(17(20)10-15)11-13-3-4-16(9-14(13)12-18)22-8-2-7-19/h3-4,9,15H,2,5-8,10-12H2,1H3.
What are the key properties of 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one?
5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one has a molecular weight of 306.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropoxy)-5'-methoxyspiro[1,3-dihydroindene-2,2'-cyclohexane]-1'-one is sourced from PubChem (CID 67984303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).