2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide

C12H6F10N2O3 — CID 3320173

IUPAC2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide
SMILESO=C(Nc1ccc(O)cc1)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C12H6F10N2O3/c13-8(14,7(26)23-5-1-3-6(25)4-2-5)24-9(15,16)11(19,20)27-12(21,22)10(24,17)18/h1-4,25H,(H,23,26)
InChIKeyWFXSPTAOTYGKIN-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.63
Rot. Bonds3

About 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide

2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide (PubChem CID 3320173) has the molecular formula C12H6F10N2O3 and a molecular weight of 416.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide
PubChem CID3320173
Molecular FormulaC12H6F10N2O3
Molecular Weight416.17 g/mol
Exact Mass416.02
IUPAC Name2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide
SMILESO=C(Nc1ccc(O)cc1)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C12H6F10N2O3/c13-8(14,7(26)23-5-1-3-6(25)4-2-5)24-9(15,16)11(19,20)27-12(21,22)10(24,17)18/h1-4,25H,(H,23,26)
InChIKeyWFXSPTAOTYGKIN-UHFFFAOYSA-N
XLogP3.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 124631816
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
CID 173295896
sodium 4-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]benzenesulfonate
CID 129185121
CID 59006143
CID 59006143
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide (CID 3320173) is 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide is O=C(Nc1ccc(O)cc1)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide?
The InChIKey is WFXSPTAOTYGKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F10N2O3/c13-8(14,7(26)23-5-1-3-6(25)4-2-5)24-9(15,16)11(19,20)27-12(21,22)10(24,17)18/h1-4,25H,(H,23,26).
What are the key properties of 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide?
2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide has a molecular weight of 416.17 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide is sourced from PubChem (CID 3320173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).