5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one

C10H8F2O2 — CID 55271105

IUPAC5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1c(F)c(F)cc2c1CCC2=O
InChIInChI=1S/C10H8F2O2/c1-14-10-5-2-3-8(13)6(5)4-7(11)9(10)12/h4H,2-3H2,1H3
InChIKeyDBZYQFZTRHWERX-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.10
Rot. Bonds1

About 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one

5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one (PubChem CID 55271105) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
PubChem CID55271105
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
SMILESCOc1c(F)c(F)cc2c1CCC2=O
InChIInChI=1S/C10H8F2O2/c1-14-10-5-2-3-8(13)6(5)4-7(11)9(10)12/h4H,2-3H2,1H3
InChIKeyDBZYQFZTRHWERX-UHFFFAOYSA-N
XLogP2.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one (CID 55271105) is 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one is COc1c(F)c(F)cc2c1CCC2=O.
What is the InChIKey of 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one?
The InChIKey is DBZYQFZTRHWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-14-10-5-2-3-8(13)6(5)4-7(11)9(10)12/h4H,2-3H2,1H3.
What are the key properties of 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one?
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one has a molecular weight of 198.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 55271105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).