4,6-difluoro-1-methyl-1,3-dihydroinden-2-one

C10H8F2O — CID 54551120

IUPAC4,6-difluoro-1-methyl-1,3-dihydroinden-2-one
SMILESCC1C(=O)Cc2c(F)cc(F)cc21
InChIInChI=1S/C10H8F2O/c1-5-7-2-6(11)3-9(12)8(7)4-10(5)13/h2-3,5H,4H2,1H3
InChIKeyZJZJCVCVSLWQIN-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.19
Rot. Bonds

About 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one

4,6-difluoro-1-methyl-1,3-dihydroinden-2-one (PubChem CID 54551120) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name4,6-difluoro-1-methyl-1,3-dihydroinden-2-one
PubChem CID54551120
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name4,6-difluoro-1-methyl-1,3-dihydroinden-2-one
SMILESCC1C(=O)Cc2c(F)cc(F)cc21
InChIInChI=1S/C10H8F2O/c1-5-7-2-6(11)3-9(12)8(7)4-10(5)13/h2-3,5H,4H2,1H3
InChIKeyZJZJCVCVSLWQIN-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one?
The IUPAC name of 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one (CID 54551120) is 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one.
What is the SMILES notation for 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one?
The canonical SMILES for 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one is CC1C(=O)Cc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one?
The InChIKey is ZJZJCVCVSLWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-5-7-2-6(11)3-9(12)8(7)4-10(5)13/h2-3,5H,4H2,1H3.
What are the key properties of 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one?
4,6-difluoro-1-methyl-1,3-dihydroinden-2-one has a molecular weight of 182.17 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-methyl-1,3-dihydroinden-2-one is sourced from PubChem (CID 54551120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).