(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

C23H22F3N3O3 — CID 56776058

IUPAC(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCO[C@@](C(=O)N1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,17-10-6-3-7-11-17)21(30)29-12-13-32-15-19(29)20-27-14-18(28-20)16-8-4-2-5-9-16/h2-11,14,19H,12-13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyPWAZTLPWSZORGT-SIKLNZKXSA-N
MW445.44 g/mol
LogP4.08
Rot. Bonds5

About (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one

(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 56776058) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID56776058
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCO[C@@](C(=O)N1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,17-10-6-3-7-11-17)21(30)29-12-13-32-15-19(29)20-27-14-18(28-20)16-8-4-2-5-9-16/h2-11,14,19H,12-13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyPWAZTLPWSZORGT-SIKLNZKXSA-N
XLogP4.08
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one (CID 56776058) is (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is CO[C@@](C(=O)N1CCOC[C@H]1c1ncc(-c2ccccc2)[nH]1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is PWAZTLPWSZORGT-SIKLNZKXSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,17-10-6-3-7-11-17)21(30)29-12-13-32-15-19(29)20-27-14-18(28-20)16-8-4-2-5-9-16/h2-11,14,19H,12-13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one?
(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 445.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56776058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).