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

C17H19F3N2O2 — CID 56865765

IUPAC[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(F)(F)F)C3)[nH]c12
InChIInChI=1S/C17H19F3N2O2/c1-9-4-5-10(2)14-13(9)11(3)15(21-14)16(23)22-6-7-24-12(8-22)17(18,19)20/h4-5,12,21H,6-8H2,1-3H3
InChIKeyKBGAVJDDEMFQCD-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.50
Rot. Bonds1

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

[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 56865765) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID56865765
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(F)(F)F)C3)[nH]c12
InChIInChI=1S/C17H19F3N2O2/c1-9-4-5-10(2)14-13(9)11(3)15(21-14)16(23)22-6-7-24-12(8-22)17(18,19)20/h4-5,12,21H,6-8H2,1-3H3
InChIKeyKBGAVJDDEMFQCD-UHFFFAOYSA-N
XLogP3.50
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97149989
[(2R)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97134757
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 70731737
[(3R)-3-phenylpiperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97140510
2-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95549657
2-methyl-5-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 56869394
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
6-propan-2-yl-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56870455
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
[4-(thian-4-yl)piperazin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 74238897

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone (CID 56865765) is [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is Cc1ccc(C)c2c(C)c(C(=O)N3CCOC(C(F)(F)F)C3)[nH]c12.
What is the InChIKey of [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is KBGAVJDDEMFQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-9-4-5-10(2)14-13(9)11(3)15(21-14)16(23)22-6-7-24-12(8-22)17(18,19)20/h4-5,12,21H,6-8H2,1-3H3.
What are the key properties of [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone?
[2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 340.35 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)morpholin-4-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 56865765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).