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

C13H9ClF3NS — CID 3985256

IUPAC2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1ccc(Cl)s1)N2
InChIInChI=1S/C13H9ClF3NS/c14-12-4-3-11(19-12)10-6-7-5-8(13(15,16)17)1-2-9(7)18-10/h1-5,10,18H,6H2
InChIKeyTYHHLRXJEXUUSE-UHFFFAOYSA-N
MW303.74 g/mol
LogP5.13
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 3985256) has the molecular formula C13H9ClF3NS and a molecular weight of 303.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID3985256
Molecular FormulaC13H9ClF3NS
Molecular Weight303.74 g/mol
Exact Mass303.01
IUPAC Name2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1ccc2c(c1)CC(c1ccc(Cl)s1)N2
InChIInChI=1S/C13H9ClF3NS/c14-12-4-3-11(19-12)10-6-7-5-8(13(15,16)17)1-2-9(7)18-10/h1-5,10,18H,6H2
InChIKeyTYHHLRXJEXUUSE-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.74
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-chlorothiophen-2-yl)spiro[1H-indole-3,1'-cyclohexane]-2-thione
CID 10042477
5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole
CID 58020540
5-[2-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]ethyl]indoline hydrochloride
CID 68831584
5-tert-butyl-1-(2,5-dichlorothiophen-3-yl)sulfonyl-1-(3,3,3-trifluoropropyl)spiro[2H-indol-1-ium-3,4'-piperidine]
CID 69179937
4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721897
(3aS,4R,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 71721942
5-tert-butyl-1-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3,3,3-trifluoropropyl)spiro[2H-indole-3,4'-piperidine]
CID 91118823
3-[3,3-dimethyl-5-(trifluoromethyl)-2H-indol-1-yl]-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 137442947
(3aS,9bR)-4-(5-chlorothiophen-2-yl)-8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 139420722
2-(5-ethylthiophen-2-yl)-5,7-difluoro-2,3-dihydro-1H-indole
CID 3249986
2-(2,5-dimethylthiophen-3-yl)-5-fluoro-2,3-dihydro-1H-indole
CID 3319956
2-thiophen-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 3342633

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 3985256) is 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole is FC(F)(F)c1ccc2c(c1)CC(c1ccc(Cl)s1)N2.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is TYHHLRXJEXUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NS/c14-12-4-3-11(19-12)10-6-7-5-8(13(15,16)17)1-2-9(7)18-10/h1-5,10,18H,6H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole?
2-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 303.74 g/mol, XLogP of 5.13, 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-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 3985256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).