morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

C11H10F3NO3 — CID 61226112

IUPACmorpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)c(F)c(O)c1F)N1CCOCC1
InChIInChI=1S/C11H10F3NO3/c12-7-5-6(8(13)10(16)9(7)14)11(17)15-1-3-18-4-2-15/h5,16H,1-4H2
InChIKeyJPGMCFXWZVMHEF-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.28
Rot. Bonds1

About morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone

morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (PubChem CID 61226112) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
PubChem CID61226112
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC Namemorpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)c(F)c(O)c1F)N1CCOCC1
InChIInChI=1S/C11H10F3NO3/c12-7-5-6(8(13)10(16)9(7)14)11(17)15-1-3-18-4-2-15/h5,16H,1-4H2
InChIKeyJPGMCFXWZVMHEF-UHFFFAOYSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxyazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 55178971
(3-aminoazetidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63755273
[2-(bromomethyl)morpholin-4-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 81211072
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
(3-hydroxypiperidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 43502669
(3-hydroxy-4-methylpiperidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 104580882
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(3-ethyl-4-hydroxypiperidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 114509823
benzene;(6-fluoro-1,3-benzodioxol-5-yl)-morpholin-4-ylmethanone
CID 160782561
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The IUPAC name of morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone (CID 61226112) is morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone.
What is the SMILES notation for morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The canonical SMILES for morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is O=C(c1cc(F)c(F)c(O)c1F)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
The InChIKey is JPGMCFXWZVMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-7-5-6(8(13)10(16)9(7)14)11(17)15-1-3-18-4-2-15/h5,16H,1-4H2.
What are the key properties of morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone?
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone has a molecular weight of 261.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone is sourced from PubChem (CID 61226112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).