2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

C15H16FNS — CID 4203065

IUPAC2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3c(F)ccc(C)c3N2)c(C)s1
InChIInChI=1S/C15H16FNS/c1-8-4-5-13(16)12-7-14(17-15(8)12)11-6-9(2)18-10(11)3/h4-6,14,17H,7H2,1-3H3
InChIKeyHCFUISVBYASKQL-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.52
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole

2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (PubChem CID 4203065) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
PubChem CID4203065
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3c(F)ccc(C)c3N2)c(C)s1
InChIInChI=1S/C15H16FNS/c1-8-4-5-13(16)12-7-14(17-15(8)12)11-6-9(2)18-10(11)3/h4-6,14,17H,7H2,1-3H3
InChIKeyHCFUISVBYASKQL-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.52
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)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole (CID 4203065) is 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is Cc1cc(C2Cc3c(F)ccc(C)c3N2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
The InChIKey is HCFUISVBYASKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-8-4-5-13(16)12-7-14(17-15(8)12)11-6-9(2)18-10(11)3/h4-6,14,17H,7H2,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole?
2-(2,5-dimethylthiophen-3-yl)-4-fluoro-7-methyl-2,3-dihydro-1H-indole has a molecular weight of 261.37 g/mol, XLogP of 4.52, 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)-4-fluoro-7-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4203065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).