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

C14H13ClFNS — CID 4202417

IUPAC5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3cc(Cl)cc(F)c3N2)c(C)s1
InChIInChI=1S/C14H13ClFNS/c1-7-3-11(8(2)18-7)13-5-9-4-10(15)6-12(16)14(9)17-13/h3-4,6,13,17H,5H2,1-2H3
InChIKeyJITLDHBDBJUNPT-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.87
Rot. Bonds1

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

5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 4202417) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID4202417
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESCc1cc(C2Cc3cc(Cl)cc(F)c3N2)c(C)s1
InChIInChI=1S/C14H13ClFNS/c1-7-3-11(8(2)18-7)13-5-9-4-10(15)6-12(16)14(9)17-13/h3-4,6,13,17H,5H2,1-2H3
InChIKeyJITLDHBDBJUNPT-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole (CID 4202417) is 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole is Cc1cc(C2Cc3cc(Cl)cc(F)c3N2)c(C)s1.
What is the InChIKey of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is JITLDHBDBJUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c1-7-3-11(8(2)18-7)13-5-9-4-10(15)6-12(16)14(9)17-13/h3-4,6,13,17H,5H2,1-2H3.
What are the key properties of 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole?
5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 281.78 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,5-dimethylthiophen-3-yl)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 4202417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).