6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one

C16H12F2OS — CID 20664043

IUPAC6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C16H12F2OS/c1-9-6-10-2-4-14(19)12(10)8-16(9)20-15-5-3-11(17)7-13(15)18/h3,5-8H,2,4H2,1H3
InChIKeyLTYWBZKSASBTGY-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.55
Rot. Bonds2

About 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one

6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one (PubChem CID 20664043) has the molecular formula C16H12F2OS and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one
PubChem CID20664043
Molecular FormulaC16H12F2OS
Molecular Weight290.33 g/mol
Exact Mass290.06
IUPAC Name6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one
SMILESCc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2
InChIInChI=1S/C16H12F2OS/c1-9-6-10-2-4-14(19)12(10)8-16(9)20-15-5-3-11(17)7-13(15)18/h3,5-8H,2,4H2,1H3
InChIKeyLTYWBZKSASBTGY-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-(2-chloro-4-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
CID 10221717
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzoic acid
CID 63513166
6-(2,4-difluorophenoxy)-5-(methylsulfanylamino)-2,3-dihydroinden-1-one
CID 142003228
4-(2,4-difluorophenyl)sulfanyl-3-methylbenzonitrile
CID 54934140
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
6-amino-7-(2,4-difluorophenyl)sulfanyl-3,4-dihydro-1H-quinolin-2-one
CID 43455745
2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 115483109
[2-(2,4-difluorophenyl)sulfanyl-5-methylphenyl]methanol
CID 114055364
6-(4-fluoro-2-methylphenoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 118598160
N-[6-(2,4-difluoroanilino)-1-oxo-2,3-dihydroinden-5-yl]-N-methylsulfonylmethanesulfonamide
CID 10598721
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
ethane;5-methyl-6-phenyl-2,3-dihydroinden-1-one
CID 91171683

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one (CID 20664043) is 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one is Cc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one?
The InChIKey is LTYWBZKSASBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2OS/c1-9-6-10-2-4-14(19)12(10)8-16(9)20-15-5-3-11(17)7-13(15)18/h3,5-8H,2,4H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one?
6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one has a molecular weight of 290.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfanyl-5-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 20664043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).