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

C12H9ClFNS — CID 3962127

IUPAC2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NC(c1ccc(Cl)s1)C2
InChIInChI=1S/C12H9ClFNS/c13-11-5-4-10(16-11)9-6-7-2-1-3-8(14)12(7)15-9/h1-5,9,15H,6H2
InChIKeySJNCMJRIZDAFOA-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.25
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole (PubChem CID 3962127) has the molecular formula C12H9ClFNS and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
PubChem CID3962127
Molecular FormulaC12H9ClFNS
Molecular Weight253.73 g/mol
Exact Mass253.01
IUPAC Name2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole
SMILESFc1cccc2c1NC(c1ccc(Cl)s1)C2
InChIInChI=1S/C12H9ClFNS/c13-11-5-4-10(16-11)9-6-7-2-1-3-8(14)12(7)15-9/h1-5,9,15H,6H2
InChIKeySJNCMJRIZDAFOA-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.25
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)-7-fluoro-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole (CID 3962127) is 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole is Fc1cccc2c1NC(c1ccc(Cl)s1)C2.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
The InChIKey is SJNCMJRIZDAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNS/c13-11-5-4-10(16-11)9-6-7-2-1-3-8(14)12(7)15-9/h1-5,9,15H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole?
2-(5-chlorothiophen-2-yl)-7-fluoro-2,3-dihydro-1H-indole has a molecular weight of 253.73 g/mol, XLogP of 4.25, 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)-7-fluoro-2,3-dihydro-1H-indole is sourced from PubChem (CID 3962127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).