1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene

C11H13FS — CID 130671865

IUPAC1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
SMILESCCSC1CCc2c(F)cccc21
InChIInChI=1S/C11H13FS/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,2,6-7H2,1H3
InChIKeyZISJDUYNPYHNLW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.57
Rot. Bonds2

About 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene

1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene (PubChem CID 130671865) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
PubChem CID130671865
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
SMILESCCSC1CCc2c(F)cccc21
InChIInChI=1S/C11H13FS/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,2,6-7H2,1H3
InChIKeyZISJDUYNPYHNLW-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethoxyethyl)-2-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]sulfanyl]acetamide
CID 97014216
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene
CID 83069594
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)sulfanyl]-4,5-dihydro-1,3-thiazole
CID 84585558
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 113251346
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555
5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058068
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83069908
N-[(4-ethylcyclohexyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83065498

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene (CID 130671865) is 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene is CCSC1CCc2c(F)cccc21.
What is the InChIKey of 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene?
The InChIKey is ZISJDUYNPYHNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-2-13-11-7-6-8-9(11)4-3-5-10(8)12/h3-5,11H,2,6-7H2,1H3.
What are the key properties of 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene?
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene has a molecular weight of 196.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 130671865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).