2-fluoro-5-methoxy-2,3-dihydroinden-1-one

C10H9FO2 — CID 45120123

IUPAC2-fluoro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(F)C2=O
InChIInChI=1S/C10H9FO2/c1-13-7-2-3-8-6(4-7)5-9(11)10(8)12/h2-4,9H,5H2,1H3
InChIKeyQTYWNOYKJNNGGX-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.77
Rot. Bonds1

About 2-fluoro-5-methoxy-2,3-dihydroinden-1-one

2-fluoro-5-methoxy-2,3-dihydroinden-1-one (PubChem CID 45120123) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-fluoro-5-methoxy-2,3-dihydroinden-1-one
PubChem CID45120123
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name2-fluoro-5-methoxy-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)CC(F)C2=O
InChIInChI=1S/C10H9FO2/c1-13-7-2-3-8-6(4-7)5-9(11)10(8)12/h2-4,9H,5H2,1H3
InChIKeyQTYWNOYKJNNGGX-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-fluoro-5-methoxy-2,3-dihydroinden-1-one (CID 45120123) is 2-fluoro-5-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-fluoro-5-methoxy-2,3-dihydroinden-1-one is COc1ccc2c(c1)CC(F)C2=O.
What is the InChIKey of 2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
The InChIKey is QTYWNOYKJNNGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2/c1-13-7-2-3-8-6(4-7)5-9(11)10(8)12/h2-4,9H,5H2,1H3.
What are the key properties of 2-fluoro-5-methoxy-2,3-dihydroinden-1-one?
2-fluoro-5-methoxy-2,3-dihydroinden-1-one has a molecular weight of 180.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 45120123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).