thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone

C15H10F3NOS — CID 146165102

IUPACthiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cccs1)c1[nH]c2ccccc2c1CC(F)(F)F
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)8-10-9-4-1-2-5-11(9)19-13(10)14(20)12-6-3-7-21-12/h1-7,19H,8H2
InChIKeyFJQZSCHUPTYENJ-UHFFFAOYSA-N
MW309.31 g/mol
LogP4.57
Rot. Bonds3

About thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone

thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone (PubChem CID 146165102) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Namethiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone
PubChem CID146165102
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Namethiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone
SMILESO=C(c1cccs1)c1[nH]c2ccccc2c1CC(F)(F)F
InChIInChI=1S/C15H10F3NOS/c16-15(17,18)8-10-9-4-1-2-5-11(9)19-13(10)14(20)12-6-3-7-21-12/h1-7,19H,8H2
InChIKeyFJQZSCHUPTYENJ-UHFFFAOYSA-N
XLogP4.57
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
N,N-dihexyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183512
2,2,7-Trimethyl-3,5-dihydrothiopyrano[3,2-b]indol-4-one
CID 801677
2-(1H-indol-3-yl)-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 3547608
N,N-Dipropyl-2-(2-thiophen-2-yl-1H-indol-3-yl)-acetamide
CID 10382646
2-(1H-indol-3-yl)-2-oxo-N-(thiophen-3-ylmethyl)acetamide
CID 11572768
2-oxo-N,N-dipropyl-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183510
N,N-dibutyl-2-oxo-2-(2-thiophen-3-yl-1H-indol-3-yl)acetamide
CID 122183511
(E)-3-(2-phenyl-1H-indol-3-yl)-2-(thiophene-2-carbonyl)prop-2-enenitrile
CID 122190054
1-[2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indol-6-yl]ethanone
CID 155524379
S-(1,3-benzothiazol-2-yl) 1H-indole-2-carbothioate
CID 168289470
S-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl) 1H-indole-2-carbothioate
CID 168293590

Frequently Asked Questions

What is the IUPAC name of thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone?
The IUPAC name of thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone (CID 146165102) is thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone.
What is the SMILES notation for thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone?
The canonical SMILES for thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone is O=C(c1cccs1)c1[nH]c2ccccc2c1CC(F)(F)F.
What is the InChIKey of thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone?
The InChIKey is FJQZSCHUPTYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-15(17,18)8-10-9-4-1-2-5-11(9)19-13(10)14(20)12-6-3-7-21-12/h1-7,19H,8H2.
What are the key properties of thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone?
thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone has a molecular weight of 309.31 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 146165102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).