5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one

C12H12F2O2 — CID 143203210

IUPAC5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCOCc1c(F)c(F)cc2c1C(=O)C(C)C2
InChIInChI=1S/C12H12F2O2/c1-6-3-7-4-9(13)11(14)8(5-16-2)10(7)12(6)15/h4,6H,3,5H2,1-2H3
InChIKeyJNGRXPDDKCMLQK-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.49
Rot. Bonds2

About 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one

5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one (PubChem CID 143203210) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one
PubChem CID143203210
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCOCc1c(F)c(F)cc2c1C(=O)C(C)C2
InChIInChI=1S/C12H12F2O2/c1-6-3-7-4-9(13)11(14)8(5-16-2)10(7)12(6)15/h4,6H,3,5H2,1-2H3
InChIKeyJNGRXPDDKCMLQK-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one (CID 143203210) is 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one is COCc1c(F)c(F)cc2c1C(=O)C(C)C2.
What is the InChIKey of 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is JNGRXPDDKCMLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c1-6-3-7-4-9(13)11(14)8(5-16-2)10(7)12(6)15/h4,6H,3,5H2,1-2H3.
What are the key properties of 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one?
5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 226.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-7-(methoxymethyl)-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 143203210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).