6-fluoro-2-methyl-2,3-dihydroinden-1-one

C10H9FO — CID 11446522

IUPAC6-fluoro-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChIKeyBABIQLUCYVRCIX-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.20
Rot. Bonds

About 6-fluoro-2-methyl-2,3-dihydroinden-1-one

6-fluoro-2-methyl-2,3-dihydroinden-1-one (PubChem CID 11446522) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-fluoro-2-methyl-2,3-dihydroinden-1-one
PubChem CID11446522
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name6-fluoro-2-methyl-2,3-dihydroinden-1-one
SMILESCC1Cc2ccc(F)cc2C1=O
InChIInChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3
InChIKeyBABIQLUCYVRCIX-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-fluoro-2-methyl-2,3-dihydroinden-1-one (CID 11446522) is 6-fluoro-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-fluoro-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-fluoro-2-methyl-2,3-dihydroinden-1-one is CC1Cc2ccc(F)cc2C1=O.
What is the InChIKey of 6-fluoro-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is BABIQLUCYVRCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-6-4-7-2-3-8(11)5-9(7)10(6)12/h2-3,5-6H,4H2,1H3.
What are the key properties of 6-fluoro-2-methyl-2,3-dihydroinden-1-one?
6-fluoro-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 164.18 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11446522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).