2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one

C13H14F2O — CID 164827511

IUPAC2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one
SMILESCC(C)CC1c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C13H14F2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(16)13(11,14)15/h3-6,8,11H,7H2,1-2H3
InChIKeyRZPSUQUACRMGHF-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.65
Rot. Bonds2

About 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one

2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one (PubChem CID 164827511) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one
PubChem CID164827511
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one
SMILESCC(C)CC1c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C13H14F2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(16)13(11,14)15/h3-6,8,11H,7H2,1-2H3
InChIKeyRZPSUQUACRMGHF-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-3-methyl-3H-inden-1-one
CID 130383048
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625
3-benzyl-2,2-dimethyl-3H-inden-1-one
CID 177395573
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
1-(2-methylpropyl)-3-phenyl-1H-indene
CID 163497952
3-(2-methylpropoxy)-3H-2-benzofuran-1-one
CID 11367744
3-(3-methylbutyl)-3H-2-benzofuran-1-one
CID 18348252
(3R)-3-methoxy-2-(3-methylbutyl)-3H-isoindol-1-one
CID 28648875
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-fluoro-4-methylpentanal
CID 177493952
(2R)-2-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 14921451
4-(aminomethyl)-3,3-dimethyl-2-phenyl-4H-isoquinolin-1-one
CID 11778428
[1-(9H-fluoren-9-yl)-3-methylbutyl] formate
CID 91019013

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one?
The IUPAC name of 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one (CID 164827511) is 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one.
What is the SMILES notation for 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one?
The canonical SMILES for 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one is CC(C)CC1c2ccccc2C(=O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one?
The InChIKey is RZPSUQUACRMGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-8(2)7-11-9-5-3-4-6-10(9)12(16)13(11,14)15/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one?
2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one has a molecular weight of 224.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylpropyl)-3H-inden-1-one is sourced from PubChem (CID 164827511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).