2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

C17H14ClFO — CID 115797451

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14ClFO/c18-17-14(5-2-6-15(17)19)10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyPXTZNPAJPAHWLO-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.39
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 115797451) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID115797451
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H14ClFO/c18-17-14(5-2-6-15(17)19)10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2
InChIKeyPXTZNPAJPAHWLO-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 107311672
2-(2-chloro-3-fluorophenyl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 116554454
2-(4-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 115815809
2-(2-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 112653250
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 9440777
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylethanone
CID 116833026
2-(2-chloro-3-fluorophenyl)-1-(5-methylfuran-3-yl)ethanone
CID 115797460
2-(2,6-dichlorophenoxy)-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 63567111
2-(2-chloro-3-fluorophenyl)-1-(3-ethoxyphenyl)ethanone
CID 115983474
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 115797451) is 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is O=C(Cc1cccc(F)c1Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is PXTZNPAJPAHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-17-14(5-2-6-15(17)19)10-16(20)13-8-7-11-3-1-4-12(11)9-13/h2,5-9H,1,3-4,10H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 288.75 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 115797451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).