[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone

C21H22F3NO5 — CID 97350041

IUPAC[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC
InChIInChI=1S/C21H22F3NO5/c1-27-16-11-18(29-3)17(28-2)10-15(16)20(26)25-8-9-30-19(12-25)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,19H,8-9,12H2,1-3H3/t19-/m0/s1
InChIKeyJBUFSQLIDDPYTG-IBGZPJMESA-N
MW425.40 g/mol
LogP3.94
Rot. Bonds5

About [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone

[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 97350041) has the molecular formula C21H22F3NO5 and a molecular weight of 425.40 g/mol. Its IUPAC name is [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
PubChem CID97350041
Molecular FormulaC21H22F3NO5
Molecular Weight425.40 g/mol
Exact Mass425.15
IUPAC Name[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC
InChIInChI=1S/C21H22F3NO5/c1-27-16-11-18(29-3)17(28-2)10-15(16)20(26)25-8-9-30-19(12-25)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,19H,8-9,12H2,1-3H3/t19-/m0/s1
InChIKeyJBUFSQLIDDPYTG-IBGZPJMESA-N
XLogP3.94
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
CID 95195384
2-methyl-3-oxo-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 122066523
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
(3,4-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 16894714
[2-(4-chlorophenyl)morpholin-4-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 55947639
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone (CID 97350041) is [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)cc1OC.
What is the InChIKey of [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is JBUFSQLIDDPYTG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22F3NO5/c1-27-16-11-18(29-3)17(28-2)10-15(16)20(26)25-8-9-30-19(12-25)13-4-6-14(7-5-13)21(22,23)24/h4-7,10-11,19H,8-9,12H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone?
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 425.40 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 97350041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).