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

C14H13F2NS — CID 3249986

IUPAC2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3cc(F)cc(F)c3N2)s1
InChIInChI=1S/C14H13F2NS/c1-2-10-3-4-13(18-10)12-6-8-5-9(15)7-11(16)14(8)17-12/h3-5,7,12,17H,2,6H2,1H3
InChIKeyHXSWMUDXSUASNV-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.30
Rot. Bonds2

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

2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole (PubChem CID 3249986) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
PubChem CID3249986
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
SMILESCCc1ccc(C2Cc3cc(F)cc(F)c3N2)s1
InChIInChI=1S/C14H13F2NS/c1-2-10-3-4-13(18-10)12-6-8-5-9(15)7-11(16)14(8)17-12/h3-5,7,12,17H,2,6H2,1H3
InChIKeyHXSWMUDXSUASNV-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole (CID 3249986) is 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole is CCc1ccc(C2Cc3cc(F)cc(F)c3N2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
The InChIKey is HXSWMUDXSUASNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c1-2-10-3-4-13(18-10)12-6-8-5-9(15)7-11(16)14(8)17-12/h3-5,7,12,17H,2,6H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole?
2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole has a molecular weight of 265.33 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3249986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).