2,2-difluoro-3-methyl-3H-inden-1-one

C10H8F2O — CID 130383048

IUPAC2,2-difluoro-3-methyl-3H-inden-1-one
SMILESCC1c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C10H8F2O/c1-6-7-4-2-3-5-8(7)9(13)10(6,11)12/h2-6H,1H3
InChIKeyHPTBNLUAOPMHGO-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.62
Rot. Bonds

About 2,2-difluoro-3-methyl-3H-inden-1-one

2,2-difluoro-3-methyl-3H-inden-1-one (PubChem CID 130383048) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-3H-inden-1-one
PubChem CID130383048
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Name2,2-difluoro-3-methyl-3H-inden-1-one
SMILESCC1c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C10H8F2O/c1-6-7-4-2-3-5-8(7)9(13)10(6,11)12/h2-6H,1H3
InChIKeyHPTBNLUAOPMHGO-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Phenindione
CID 4760
Pindone
CID 6732
Fluindione
CID 68942
Celestolide
CID 61585
Fluorenone
CID 10241
Valone
CID 6733
2-Methylacetophenone
CID 11340
2-Indanone
CID 11983
Isobutyrophenone
CID 69144
2,2,2-Trifluoroacetophenone
CID 9905
1-Indanone
CID 6735
Phantolide
CID 47167

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-3H-inden-1-one?
The IUPAC name of 2,2-difluoro-3-methyl-3H-inden-1-one (CID 130383048) is 2,2-difluoro-3-methyl-3H-inden-1-one.
What is the SMILES notation for 2,2-difluoro-3-methyl-3H-inden-1-one?
The canonical SMILES for 2,2-difluoro-3-methyl-3H-inden-1-one is CC1c2ccccc2C(=O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-3H-inden-1-one?
The InChIKey is HPTBNLUAOPMHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O/c1-6-7-4-2-3-5-8(7)9(13)10(6,11)12/h2-6H,1H3.
What are the key properties of 2,2-difluoro-3-methyl-3H-inden-1-one?
2,2-difluoro-3-methyl-3H-inden-1-one has a molecular weight of 182.17 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-3H-inden-1-one is sourced from PubChem (CID 130383048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).