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

C12H8Cl2FNS — CID 3510064

IUPAC5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccc(Cl)s1)C2
InChIInChI=1S/C12H8Cl2FNS/c13-7-3-6-4-9(10-1-2-11(14)17-10)16-12(6)8(15)5-7/h1-3,5,9,16H,4H2
InChIKeyYOMLCAHKNNNKGZ-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.90
Rot. Bonds1

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

5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 3510064) has the molecular formula C12H8Cl2FNS and a molecular weight of 288.17 g/mol. Its IUPAC name is 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID3510064
Molecular FormulaC12H8Cl2FNS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cc(Cl)cc2c1NC(c1ccc(Cl)s1)C2
InChIInChI=1S/C12H8Cl2FNS/c13-7-3-6-4-9(10-1-2-11(14)17-10)16-12(6)8(15)5-7/h1-3,5,9,16H,4H2
InChIKeyYOMLCAHKNNNKGZ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole (CID 3510064) is 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole is Fc1cc(Cl)cc2c1NC(c1ccc(Cl)s1)C2.
What is the InChIKey of 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is YOMLCAHKNNNKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2FNS/c13-7-3-6-4-9(10-1-2-11(14)17-10)16-12(6)8(15)5-7/h1-3,5,9,16H,4H2.
What are the key properties of 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 288.17 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3510064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).