2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide

C20H10F14N2O3 — CID 124631816

IUPAC2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@@](F)(C(F)(F)F)O[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C20H10F14N2O3/c21-14(22,13(37)35-10-6-8-12(9-7-10)38-11-4-2-1-3-5-11)36-19(31,32)15(23,17(25,26)27)39-16(24,18(28,29)30)20(36,33)34/h1-9H,(H,35,37)/t15-,16-/m1/s1
InChIKeyVWRYGZVLKQUPFI-HZPDHXFCSA-N
MW592.28 g/mol
LogP6.98
Rot. Bonds5

About 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide

2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 124631816) has the molecular formula C20H10F14N2O3 and a molecular weight of 592.28 g/mol. Its IUPAC name is 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID124631816
Molecular FormulaC20H10F14N2O3
Molecular Weight592.28 g/mol
Exact Mass592.05
IUPAC Name2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@@](F)(C(F)(F)F)O[C@](F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C20H10F14N2O3/c21-14(22,13(37)35-10-6-8-12(9-7-10)38-11-4-2-1-3-5-11)36-19(31,32)15(23,17(25,26)27)39-16(24,18(28,29)30)20(36,33)34/h1-9H,(H,35,37)/t15-,16-/m1/s1
InChIKeyVWRYGZVLKQUPFI-HZPDHXFCSA-N
XLogP6.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.28
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(4-hydroxyphenyl)-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetamide
CID 3320173
2,2,2-trichloro-N-(4-phenoxyphenyl)acetamide
CID 4117087
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-phenoxyphenyl)nonanamide
CID 4250486
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
2,2,2-trifluoro-N-[4-[4-[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]sulfanylphenoxy]phenyl]sulfanylphenyl]acetamide
CID 4301186
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368
1-amino-3-(4-phenoxyphenyl)urea;hydrochloride
CID 19701837
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 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) is 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C(F)(F)N1C(F)(F)[C@@](F)(C(F)(F)F)O[C@](F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is VWRYGZVLKQUPFI-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H10F14N2O3/c21-14(22,13(37)35-10-6-8-12(9-7-10)38-11-4-2-1-3-5-11)36-19(31,32)15(23,17(25,26)27)39-16(24,18(28,29)30)20(36,33)34/h1-9H,(H,35,37)/t15-,16-/m1/s1.
What are the key properties of 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide?
2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 592.28 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[(2R,6R)-2,3,3,5,5,6-hexafluoro-2,6-bis(trifluoromethyl)morpholin-4-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 124631816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).