2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole

C13H10F3NS — CID 3342633

IUPAC2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cccs1)N2
InChIInChI=1S/C13H10F3NS/c14-13(15,16)9-3-4-10-8(6-9)7-11(17-10)12-2-1-5-18-12/h1-6,11,17H,7H2
InChIKeyMSFVBTGMYAEYPW-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.48
Rot. Bonds1

About 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole

2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3342633) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3342633
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1cccs1)N2
InChIInChI=1S/C13H10F3NS/c14-13(15,16)9-3-4-10-8(6-9)7-11(17-10)12-2-1-5-18-12/h1-6,11,17H,7H2
InChIKeyMSFVBTGMYAEYPW-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3342633) is 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)c1ccc2c(c1)CC(c1cccs1)N2.
What is the InChIKey of 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is MSFVBTGMYAEYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c14-13(15,16)9-3-4-10-8(6-9)7-11(17-10)12-2-1-5-18-12/h1-6,11,17H,7H2.
What are the key properties of 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 269.29 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3342633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).