2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone

C19H16F3NO3 — CID 3393871

IUPAC2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
SMILESCOc1cccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C19H16F3NO3/c1-25-13-5-4-6-14(11-13)26-10-9-23-12-16(18(24)19(20,21)22)15-7-2-3-8-17(15)23/h2-8,11-12H,9-10H2,1H3
InChIKeyBYPGCONRFPSSDJ-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.47
Rot. Bonds6

About 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone

2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone (PubChem CID 3393871) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
PubChem CID3393871
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
SMILESCOc1cccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C19H16F3NO3/c1-25-13-5-4-6-14(11-13)26-10-9-23-12-16(18(24)19(20,21)22)15-7-2-3-8-17(15)23/h2-8,11-12H,9-10H2,1H3
InChIKeyBYPGCONRFPSSDJ-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 46500473
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]indole-3-carboxamide
CID 47072758
2-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethylazanium
CID 149136552
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
CID 3965058
2-(3-methoxyanilino)-1-[1-(2-methoxyethyl)indol-3-yl]-2-phenylethanone
CID 86728775
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetic acid
CID 3154371
2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 2174755
N-[2-(4-chlorophenoxy)ethyl]-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]acetamide
CID 3546380
2,2,2-trifluoro-1-[1-(2-methoxyethyl)-7-(trifluoromethoxy)indol-3-yl]ethanone
CID 86671580
2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone (CID 3393871) is 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone is COc1cccc(OCCn2cc(C(=O)C(F)(F)F)c3ccccc32)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone?
The InChIKey is BYPGCONRFPSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-25-13-5-4-6-14(11-13)26-10-9-23-12-16(18(24)19(20,21)22)15-7-2-3-8-17(15)23/h2-8,11-12H,9-10H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone?
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone has a molecular weight of 363.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone is sourced from PubChem (CID 3393871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).