7-fluoro-4-methoxy-2,3-dihydroinden-1-one

C10H9FO2 — CID 53486405

IUPAC7-fluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc(F)c2c1CCC2=O
InChIInChI=1S/C10H9FO2/c1-13-9-5-3-7(11)10-6(9)2-4-8(10)12/h3,5H,2,4H2,1H3
InChIKeyIQRUGCAICLCNMX-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.96
Rot. Bonds1

About 7-fluoro-4-methoxy-2,3-dihydroinden-1-one

7-fluoro-4-methoxy-2,3-dihydroinden-1-one (PubChem CID 53486405) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 7-fluoro-4-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-fluoro-4-methoxy-2,3-dihydroinden-1-one
PubChem CID53486405
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name7-fluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc(F)c2c1CCC2=O
InChIInChI=1S/C10H9FO2/c1-13-9-5-3-7(11)10-6(9)2-4-8(10)12/h3,5H,2,4H2,1H3
InChIKeyIQRUGCAICLCNMX-UHFFFAOYSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-fluoro-4-methoxy-2,3-dihydroinden-1-one (CID 53486405) is 7-fluoro-4-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-fluoro-4-methoxy-2,3-dihydroinden-1-one is COc1ccc(F)c2c1CCC2=O.
What is the InChIKey of 7-fluoro-4-methoxy-2,3-dihydroinden-1-one?
The InChIKey is IQRUGCAICLCNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-13-9-5-3-7(11)10-6(9)2-4-8(10)12/h3,5H,2,4H2,1H3.
What are the key properties of 7-fluoro-4-methoxy-2,3-dihydroinden-1-one?
7-fluoro-4-methoxy-2,3-dihydroinden-1-one has a molecular weight of 180.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 53486405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).