4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one

C21H22F3NO2 — CID 56763877

IUPAC4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-11-9-17(10-12-18)19-15-25(13-14-27-19)20(26)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,19H,4,7-8,13-15H2
InChIKeyHHJVELOXHFYQOS-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.63
Rot. Bonds5

About 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one

4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one (PubChem CID 56763877) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one
PubChem CID56763877
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-11-9-17(10-12-18)19-15-25(13-14-27-19)20(26)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,19H,4,7-8,13-15H2
InChIKeyHHJVELOXHFYQOS-UHFFFAOYSA-N
XLogP4.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone
CID 44444643
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-(4-fluoro-phenyl)-acetamide
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N-(3-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-propyl)-2-phenyl-acetamide
CID 10575012
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one
CID 10575547
N-(2-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethylamino}-ethyl)-2-phenyl-acetamide
CID 10788455
Flumetramide
CID 23512
N-[2-[2-[bis(4-fluorophenyl)methoxy]ethylamino]ethyl]-3-phenylpropanamide
CID 10765459
2-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)cycloheptanone
CID 44278234
2-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)cyclohexanone
CID 44278269
2-((4-(2-(Bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)cyclopentanone
CID 44278416
N-(cyanomethyl)-4-methyl-2-[3-(4-morpholin-2-ylphenyl)phenyl]pentanamide
CID 44348116
4-Methyl-2-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162674852

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one (CID 56763877) is 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one is O=C(CCCc1ccccc1)N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one?
The InChIKey is HHJVELOXHFYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c22-21(23,24)18-11-9-17(10-12-18)19-15-25(13-14-27-19)20(26)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,19H,4,7-8,13-15H2.
What are the key properties of 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one?
4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one has a molecular weight of 377.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]butan-1-one is sourced from PubChem (CID 56763877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).