6-(3-fluoropropoxy)-2,3-dihydroinden-1-one

C12H13FO2 — CID 67979471

IUPAC6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(OCCCF)cc21
InChIInChI=1S/C12H13FO2/c13-6-1-7-15-10-4-2-9-3-5-12(14)11(9)8-10/h2,4,8H,1,3,5-7H2
InChIKeyHAHGCXCELXOBDW-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.55
Rot. Bonds4

About 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one

6-(3-fluoropropoxy)-2,3-dihydroinden-1-one (PubChem CID 67979471) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
PubChem CID67979471
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name6-(3-fluoropropoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2ccc(OCCCF)cc21
InChIInChI=1S/C12H13FO2/c13-6-1-7-15-10-4-2-9-3-5-12(14)11(9)8-10/h2,4,8H,1,3,5-7H2
InChIKeyHAHGCXCELXOBDW-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one (CID 67979471) is 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one is O=C1CCc2ccc(OCCCF)cc21.
What is the InChIKey of 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one?
The InChIKey is HAHGCXCELXOBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-6-1-7-15-10-4-2-9-3-5-12(14)11(9)8-10/h2,4,8H,1,3,5-7H2.
What are the key properties of 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one?
6-(3-fluoropropoxy)-2,3-dihydroinden-1-one has a molecular weight of 208.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 67979471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).