1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone

C21H17ClF5NO4 — CID 3842107

IUPAC1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)c3cc(C(F)(F)F)cc(Cl)c3F)CCO2)cc1F
InChIInChI=1S/C21H17ClF5NO4/c1-11(29)15-3-2-13(8-18(15)23)32-10-14-9-28(4-5-31-14)20(30)16-6-12(21(25,26)27)7-17(22)19(16)24/h2-3,6-8,14H,4-5,9-10H2,1H3
InChIKeyHULMSFJXOGOEKC-UHFFFAOYSA-N
MW477.81 g/mol
LogP4.76
Rot. Bonds5

About 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone

1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone (PubChem CID 3842107) has the molecular formula C21H17ClF5NO4 and a molecular weight of 477.81 g/mol. Its IUPAC name is 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone
PubChem CID3842107
Molecular FormulaC21H17ClF5NO4
Molecular Weight477.81 g/mol
Exact Mass477.08
IUPAC Name1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(OCC2CN(C(=O)c3cc(C(F)(F)F)cc(Cl)c3F)CCO2)cc1F
InChIInChI=1S/C21H17ClF5NO4/c1-11(29)15-3-2-13(8-18(15)23)32-10-14-9-28(4-5-31-14)20(30)16-6-12(21(25,26)27)7-17(22)19(16)24/h2-3,6-8,14H,4-5,9-10H2,1H3
InChIKeyHULMSFJXOGOEKC-UHFFFAOYSA-N
XLogP4.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone with MolForge

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Related Compounds

1-[2-fluoro-4-[[4-(3-methylfuran-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3518371
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(9H-fluoren-9-yl)ethanone
CID 3768585
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 3869012
1-[2-fluoro-4-[[4-(3-methyl-1H-indene-2-carbonyl)morpholin-2-yl]methoxy]phenyl]ethanone
CID 3820439
1-[4-[[4-(3-bromo-2-fluorobenzoyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3807377
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 3847500
1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholin-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 3690681
(1S,4R)-1-[2-[(4-acetyl-3-fluorophenoxy)methyl]morpholine-4-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 74228119
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42849205
(2-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone (CID 3842107) is 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone is CC(=O)c1ccc(OCC2CN(C(=O)c3cc(C(F)(F)F)cc(Cl)c3F)CCO2)cc1F.
What is the InChIKey of 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone?
The InChIKey is HULMSFJXOGOEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF5NO4/c1-11(29)15-3-2-13(8-18(15)23)32-10-14-9-28(4-5-31-14)20(30)16-6-12(21(25,26)27)7-17(22)19(16)24/h2-3,6-8,14H,4-5,9-10H2,1H3.
What are the key properties of 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone?
1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone has a molecular weight of 477.81 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl]morpholin-2-yl]methoxy]-2-fluorophenyl]ethanone is sourced from PubChem (CID 3842107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).