2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone

C20H18F3NO2 — CID 46500469

IUPAC2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C20H18F3NO2/c1-13-7-9-15(10-8-13)26-12-11-24-14(2)18(19(25)20(21,22)23)16-5-3-4-6-17(16)24/h3-10H,11-12H2,1-2H3
InChIKeyBGIQPVFGXPDDIT-UHFFFAOYSA-N
MW361.36 g/mol
LogP5.08
Rot. Bonds5

About 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone

2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 46500469) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
PubChem CID46500469
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Name2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
SMILESCc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1
InChIInChI=1S/C20H18F3NO2/c1-13-7-9-15(10-8-13)26-12-11-24-14(2)18(19(25)20(21,22)23)16-5-3-4-6-17(16)24/h3-10H,11-12H2,1-2H3
InChIKeyBGIQPVFGXPDDIT-UHFFFAOYSA-N
XLogP5.08
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.36
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
1-[1-[2-(3,4-dimethylphenoxy)ethyl]-2-methylindol-3-yl]ethanone
CID 21380818
N-[4-(hydroxycarbamoyl)phenyl]-1-[2-(4-methoxyphenoxy)ethyl]-2-methylindole-3-carboxamide
CID 176898905
4-methyl-1-[4-(4-methylphenoxy)butyl]quinolin-2-one
CID 39768022
methyl 1-[2-(4-tert-butylphenoxy)ethyl]-5-hydroxy-2-methylindole-3-carboxylate
CID 17368108
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003
1-[4-(4-methylphenoxy)butyl]-3,1-benzoxazine-2,4-dione
CID 18802300
1-carbazol-9-yl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]propan-2-ol;oxalic acid
CID 2905393
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
1-[1-[3-(2-chlorophenoxy)propyl]-2-methylindol-3-yl]ethanone
CID 21380832
2-[2-[5-(4-methylphenoxy)pentoxy]carbazol-9-yl]acetic acid
CID 58948597
2-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]indole-3-carbaldehyde
CID 150305431

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone (CID 46500469) is 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone is Cc1ccc(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is BGIQPVFGXPDDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c1-13-7-9-15(10-8-13)26-12-11-24-14(2)18(19(25)20(21,22)23)16-5-3-4-6-17(16)24/h3-10H,11-12H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone?
2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone has a molecular weight of 361.36 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 46500469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).