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

C12H8ClF2NS — CID 3566032

IUPAC2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)CC(c1ccc(Cl)s1)N2
InChIInChI=1S/C12H8ClF2NS/c13-11-2-1-10(17-11)9-4-6-3-7(14)5-8(15)12(6)16-9/h1-3,5,9,16H,4H2
InChIKeyIFZLEKTUENJWFT-UHFFFAOYSA-N
MW271.72 g/mol
LogP4.39
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole (PubChem CID 3566032) has the molecular formula C12H8ClF2NS and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
PubChem CID3566032
Molecular FormulaC12H8ClF2NS
Molecular Weight271.72 g/mol
Exact Mass271.00
IUPAC Name2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESFc1cc(F)c2c(c1)CC(c1ccc(Cl)s1)N2
InChIInChI=1S/C12H8ClF2NS/c13-11-2-1-10(17-11)9-4-6-3-7(14)5-8(15)12(6)16-9/h1-3,5,9,16H,4H2
InChIKeyIFZLEKTUENJWFT-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole (CID 3566032) is 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole is Fc1cc(F)c2c(c1)CC(c1ccc(Cl)s1)N2.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The InChIKey is IFZLEKTUENJWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NS/c13-11-2-1-10(17-11)9-4-6-3-7(14)5-8(15)12(6)16-9/h1-3,5,9,16H,4H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole has a molecular weight of 271.72 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3566032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).