2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole

C14H14FNS — CID 3319956

IUPAC2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3cc(F)ccc3N2)c(C)s1
InChIInChI=1S/C14H14FNS/c1-8-5-12(9(2)17-8)14-7-10-6-11(15)3-4-13(10)16-14/h3-6,14,16H,7H2,1-2H3
InChIKeyOQRNGXMENHPMMO-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.21
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole

2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole (PubChem CID 3319956) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole
PubChem CID3319956
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3cc(F)ccc3N2)c(C)s1
InChIInChI=1S/C14H14FNS/c1-8-5-12(9(2)17-8)14-7-10-6-11(15)3-4-13(10)16-14/h3-6,14,16H,7H2,1-2H3
InChIKeyOQRNGXMENHPMMO-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole (CID 3319956) is 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole is Cc1cc(C2Cc3cc(F)ccc3N2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole?
The InChIKey is OQRNGXMENHPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c1-8-5-12(9(2)17-8)14-7-10-6-11(15)3-4-13(10)16-14/h3-6,14,16H,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole?
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3319956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).