[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

C20H23F3N2O2 — CID 97003375

IUPAC[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(C)n1CC(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-13-9-17(15(3)25(13)12-20(21,22)23)19(26)24-10-14(2)27-18(11-24)16-7-5-4-6-8-16/h4-9,14,18H,10-12H2,1-3H3/t14-,18-/m1/s1
InChIKeyGMDBRNJSVCUYSI-RDTXWAMCSA-N
MW380.41 g/mol
LogP4.27
Rot. Bonds3

About [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone

[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (PubChem CID 97003375) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
PubChem CID97003375
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(C)n1CC(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-13-9-17(15(3)25(13)12-20(21,22)23)19(26)24-10-14(2)27-18(11-24)16-7-5-4-6-8-16/h4-9,14,18H,10-12H2,1-3H3/t14-,18-/m1/s1
InChIKeyGMDBRNJSVCUYSI-RDTXWAMCSA-N
XLogP4.27
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(1-ethylindol-3-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 96997373
(2-bromo-4-fluorophenyl)-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914309
(3-bromo-2-hydroxy-5-methylphenyl)-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95034994
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
4-[(2R,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 52528403
(2-methyl-6-phenylmorpholin-4-yl)-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 56819953
[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95583774
[2-(methylamino)quinolin-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95772487
(2-methyl-6-phenylmorpholin-4-yl)-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 47914996
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95142810

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The IUPAC name of [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone (CID 97003375) is [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is Cc1cc(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(C)n1CC(F)(F)F.
What is the InChIKey of [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
The InChIKey is GMDBRNJSVCUYSI-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-13-9-17(15(3)25(13)12-20(21,22)23)19(26)24-10-14(2)27-18(11-24)16-7-5-4-6-8-16/h4-9,14,18H,10-12H2,1-3H3/t14-,18-/m1/s1.
What are the key properties of [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone?
[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone has a molecular weight of 380.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 97003375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).