5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole

C21H18F3NS — CID 58020540

IUPAC5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1sc(CCc2ccc3c(c2)CCN3)cc1-c1ccccc1
InChIInChI=1S/C21H18F3NS/c22-21(23,24)20-18(15-4-2-1-3-5-15)13-17(26-20)8-6-14-7-9-19-16(12-14)10-11-25-19/h1-5,7,9,12-13,25H,6,8,10-11H2
InChIKeyXAVCHPLTUPWKEE-UHFFFAOYSA-N
MW373.44 g/mol
LogP6.19
Rot. Bonds4

About 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole

5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole (PubChem CID 58020540) has the molecular formula C21H18F3NS and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole
PubChem CID58020540
Molecular FormulaC21H18F3NS
Molecular Weight373.44 g/mol
Exact Mass373.11
IUPAC Name5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole
SMILESFC(F)(F)c1sc(CCc2ccc3c(c2)CCN3)cc1-c1ccccc1
InChIInChI=1S/C21H18F3NS/c22-21(23,24)20-18(15-4-2-1-3-5-15)13-17(26-20)8-6-14-7-9-19-16(12-14)10-11-25-19/h1-5,7,9,12-13,25H,6,8,10-11H2
InChIKeyXAVCHPLTUPWKEE-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole (CID 58020540) is 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole is FC(F)(F)c1sc(CCc2ccc3c(c2)CCN3)cc1-c1ccccc1.
What is the InChIKey of 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole?
The InChIKey is XAVCHPLTUPWKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NS/c22-21(23,24)20-18(15-4-2-1-3-5-15)13-17(26-20)8-6-14-7-9-19-16(12-14)10-11-25-19/h1-5,7,9,12-13,25H,6,8,10-11H2.
What are the key properties of 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole?
5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole has a molecular weight of 373.44 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]ethyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 58020540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).