[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride

C17H22ClF3N2O3 — CID 120935931

IUPAC[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C17H21F3N2O3.ClH/c1-11-15(21-5-7-24-11)16(23)22-6-8-25-14(10-22)12-3-2-4-13(9-12)17(18,19)20;/h2-4,9,11,14-15,21H,5-8,10H2,1H3;1H/t11-,14?,15+;/m1./s1
InChIKeyMPCALHQRKDVVIO-POFYFPQKSA-N
MW394.82 g/mol
LogP2.40
Rot. Bonds2

About [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride

[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride (PubChem CID 120935931) has the molecular formula C17H22ClF3N2O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
PubChem CID120935931
Molecular FormulaC17H22ClF3N2O3
Molecular Weight394.82 g/mol
Exact Mass394.13
IUPAC Name[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C17H21F3N2O3.ClH/c1-11-15(21-5-7-24-11)16(23)22-6-8-25-14(10-22)12-3-2-4-13(9-12)17(18,19)20;/h2-4,9,11,14-15,21H,5-8,10H2,1H3;1H/t11-,14?,15+;/m1./s1
InChIKeyMPCALHQRKDVVIO-POFYFPQKSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120930572
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
1-[4-[2-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166405304
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
N-(1H-indol-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 126784188
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
[(3R)-3-methylpiperazin-1-yl]-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124620612
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride?
The IUPAC name of [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride (CID 120935931) is [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride?
The canonical SMILES for [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride?
The InChIKey is MPCALHQRKDVVIO-POFYFPQKSA-N. The full InChI is InChI=1S/C17H21F3N2O3.ClH/c1-11-15(21-5-7-24-11)16(23)22-6-8-25-14(10-22)12-3-2-4-13(9-12)17(18,19)20;/h2-4,9,11,14-15,21H,5-8,10H2,1H3;1H/t11-,14?,15+;/m1./s1.
What are the key properties of [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride?
[(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride has a molecular weight of 394.82 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylmorpholin-3-yl]-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120935931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).