2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone

C17H14F2O — CID 65406653

IUPAC2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C17H14F2O/c18-15-7-3-5-12(17(15)19)10-16(20)14-9-8-11-4-1-2-6-13(11)14/h1-7,14H,8-10H2
InChIKeyXZCKBCPOYKJFLH-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.81
Rot. Bonds3

About 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone

2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone (PubChem CID 65406653) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
PubChem CID65406653
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
SMILESO=C(Cc1cccc(F)c1F)C1CCc2ccccc21
InChIInChI=1S/C17H14F2O/c18-15-7-3-5-12(17(15)19)10-16(20)14-9-8-11-4-1-2-6-13(11)14/h1-7,14H,8-10H2
InChIKeyXZCKBCPOYKJFLH-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 103039403
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65407992
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
cadmium;bis(2,3-dihydro-1H-indene-1-carboxylic acid)
CID 162540344
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(2,6-difluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 114935408
1-(2,3-dihydro-1H-inden-1-yl)-3-thiophen-3-ylpropan-1-one
CID 65407812
2-(2-bromo-3-fluorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 105121305

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone (CID 65406653) is 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone is O=C(Cc1cccc(F)c1F)C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The InChIKey is XZCKBCPOYKJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O/c18-15-7-3-5-12(17(15)19)10-16(20)14-9-8-11-4-1-2-6-13(11)14/h1-7,14H,8-10H2.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone has a molecular weight of 272.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone is sourced from PubChem (CID 65406653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).