3-(difluoromethylsulfanyl)-5-fluoro-1H-indole

C9H6F3NS — CID 122212167

IUPAC3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(SC(F)F)c2c1
InChIInChI=1S/C9H6F3NS/c10-5-1-2-7-6(3-5)8(4-13-7)14-9(11)12/h1-4,9,13H
InChIKeyRJAIZIVAKSDQKF-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.62
Rot. Bonds2

About 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole

3-(difluoromethylsulfanyl)-5-fluoro-1H-indole (PubChem CID 122212167) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
PubChem CID122212167
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
SMILESFc1ccc2[nH]cc(SC(F)F)c2c1
InChIInChI=1S/C9H6F3NS/c10-5-1-2-7-6(3-5)8(4-13-7)14-9(11)12/h1-4,9,13H
InChIKeyRJAIZIVAKSDQKF-UHFFFAOYSA-N
XLogP3.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1H-indol-3-ol
CID 90083452
3-chloro-6-fluoro-1H-quinolin-4-one
CID 45118012
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
CID 68783636
5-fluoro-1H-indole-3-carbonyl iodide
CID 166942307
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
4-(5-fluoro-1H-indol-3-yl)-4-oxobut-2-enoic acid
CID 77054977
2-chloro-1-(5-fluoro-1H-indol-3-yl)ethanone
CID 931809
[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
5-fluoro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole
CID 11695567
5-fluoro-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91755802

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole?
The IUPAC name of 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole (CID 122212167) is 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole?
The canonical SMILES for 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole is Fc1ccc2[nH]cc(SC(F)F)c2c1.
What is the InChIKey of 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole?
The InChIKey is RJAIZIVAKSDQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-5-1-2-7-6(3-5)8(4-13-7)14-9(11)12/h1-4,9,13H.
What are the key properties of 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole?
3-(difluoromethylsulfanyl)-5-fluoro-1H-indole has a molecular weight of 217.22 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-5-fluoro-1H-indole is sourced from PubChem (CID 122212167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).