2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone

C17H14ClFO — CID 103039403

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C17H14ClFO/c18-15-9-11(5-8-16(15)19)10-17(20)14-7-6-12-3-1-2-4-13(12)14/h1-5,8-9,14H,6-7,10H2
InChIKeyRBXOWDOADJJAAA-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.32
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone (PubChem CID 103039403) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
PubChem CID103039403
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)C1CCc2ccccc21
InChIInChI=1S/C17H14ClFO/c18-15-9-11(5-8-16(15)19)10-17(20)14-7-6-12-3-1-2-4-13(12)14/h1-5,8-9,14H,6-7,10H2
InChIKeyRBXOWDOADJJAAA-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone
CID 65406653
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042704
1-(2,3-dihydro-1H-inden-1-yl)-2-(2-methylphenyl)ethanone
CID 65407423
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
2-(3-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 103039582
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone (CID 103039403) is 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone is O=C(Cc1ccc(F)c(Cl)c1)C1CCc2ccccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
The InChIKey is RBXOWDOADJJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-15-9-11(5-8-16(15)19)10-17(20)14-7-6-12-3-1-2-4-13(12)14/h1-5,8-9,14H,6-7,10H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone has a molecular weight of 288.75 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanone is sourced from PubChem (CID 103039403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).