1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

C18H21F3N2O2 — CID 56870900

IUPAC1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C18H21F3N2O2/c1-10-4-5-11(2)17-16(10)13(12(3)22-17)8-15(24)23-6-7-25-14(9-23)18(19,20)21/h4-5,14,22H,6-9H2,1-3H3
InChIKeyOPYHLTAOPCEODC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.43
Rot. Bonds2

About 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (PubChem CID 56870900) has the molecular formula C18H21F3N2O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
PubChem CID56870900
Molecular FormulaC18H21F3N2O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C18H21F3N2O2/c1-10-4-5-11(2)17-16(10)13(12(3)22-17)8-15(24)23-6-7-25-14(9-23)18(19,20)21/h4-5,14,22H,6-9H2,1-3H3
InChIKeyOPYHLTAOPCEODC-UHFFFAOYSA-N
XLogP3.43
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 56865765
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70743384
1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 72850412
2-[4-(hydroxymethyl)phenyl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95724984
(3aR,6aR)-5-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138806243
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 154565775
3-methyl-5-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 56877860
2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940341
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70724365

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone (CID 56870900) is 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
The InChIKey is OPYHLTAOPCEODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O2/c1-10-4-5-11(2)17-16(10)13(12(3)22-17)8-15(24)23-6-7-25-14(9-23)18(19,20)21/h4-5,14,22H,6-9H2,1-3H3.
What are the key properties of 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone?
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone has a molecular weight of 354.37 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 56870900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).