3-fluoro-3-methyl-2H-inden-1-one

C10H9FO — CID 122380797

IUPAC3-fluoro-3-methyl-2H-inden-1-one
SMILESCC1(F)CC(=O)c2ccccc21
InChIInChI=1S/C10H9FO/c1-10(11)6-9(12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyLAGCAGSPPGULTO-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.46
Rot. Bonds

About 3-fluoro-3-methyl-2H-inden-1-one

3-fluoro-3-methyl-2H-inden-1-one (PubChem CID 122380797) has the molecular formula C10H9FO and a molecular weight of 164.18 g/mol. Its IUPAC name is 3-fluoro-3-methyl-2H-inden-1-one.

Molecular Properties

Compound Name3-fluoro-3-methyl-2H-inden-1-one
PubChem CID122380797
Molecular FormulaC10H9FO
Molecular Weight164.18 g/mol
Exact Mass164.06
IUPAC Name3-fluoro-3-methyl-2H-inden-1-one
SMILESCC1(F)CC(=O)c2ccccc21
InChIInChI=1S/C10H9FO/c1-10(11)6-9(12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyLAGCAGSPPGULTO-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;9-fluoro-9-methylfluorene
CID 163249751
(3S)-3-methyl-3-(2-phenylethyl)-2H-inden-1-one
CID 102415186
(2'R,4'S)-2',3',4'-trimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 135173286
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
3-(4-ethylphenyl)-3-methyl-2H-inden-1-one
CID 132519091
spiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1,1'-dione
CID 14141979
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
CID 57081376
3-butyl-3-(4-fluorophenyl)-2H-inden-1-one
CID 86051136
5'-methylspiro[2H-indene-3,3'-2H-thiophene]-1-one
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2-methyl-4-oxo-1,3-dihydronaphthalene-2-carboxylic acid
CID 12822852
2,4,4-trimethyl-3H-isoquinolin-1-one
CID 21300145

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-2H-inden-1-one?
The IUPAC name of 3-fluoro-3-methyl-2H-inden-1-one (CID 122380797) is 3-fluoro-3-methyl-2H-inden-1-one.
What is the SMILES notation for 3-fluoro-3-methyl-2H-inden-1-one?
The canonical SMILES for 3-fluoro-3-methyl-2H-inden-1-one is CC1(F)CC(=O)c2ccccc21.
What is the InChIKey of 3-fluoro-3-methyl-2H-inden-1-one?
The InChIKey is LAGCAGSPPGULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO/c1-10(11)6-9(12)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3.
What are the key properties of 3-fluoro-3-methyl-2H-inden-1-one?
3-fluoro-3-methyl-2H-inden-1-one has a molecular weight of 164.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-2H-inden-1-one is sourced from PubChem (CID 122380797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).