(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide

C15H10F12N2O2 — CID 14641181

IUPAC(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@](F)(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F12N2O2/c1-7(8-5-3-2-4-6-8)28-9(30)10(16,11(17,18)19)29-12(20,21)14(24,25)31-15(26,27)13(29,22)23/h2-7H,1H3,(H,28,30)/t7-,10-/m0/s1
InChIKeySBPOFPFZMBXZAP-XVKPBYJWSA-N
MW478.23 g/mol
LogP4.80
Rot. Bonds4

About (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide

(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 14641181) has the molecular formula C15H10F12N2O2 and a molecular weight of 478.23 g/mol. Its IUPAC name is (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID14641181
Molecular FormulaC15H10F12N2O2
Molecular Weight478.23 g/mol
Exact Mass478.06
IUPAC Name(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)[C@](F)(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H10F12N2O2/c1-7(8-5-3-2-4-6-8)28-9(30)10(16,11(17,18)19)29-12(20,21)14(24,25)31-15(26,27)13(29,22)23/h2-7H,1H3,(H,28,30)/t7-,10-/m0/s1
InChIKeySBPOFPFZMBXZAP-XVKPBYJWSA-N
XLogP4.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.23
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium
CID 2484056
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 162812285
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
(E)-4,4,4-trifluoro-N-[(1R)-1-phenylethyl]-3-[[(1R)-1-phenylethyl]amino]but-2-enamide
CID 44889670
(E)-1,1,1-trifluoro-4-(1-phenylethylamino)pent-3-en-2-one
CID 6219497
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 14641181) is (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)[C@](F)(N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is SBPOFPFZMBXZAP-XVKPBYJWSA-N. The full InChI is InChI=1S/C15H10F12N2O2/c1-7(8-5-3-2-4-6-8)28-9(30)10(16,11(17,18)19)29-12(20,21)14(24,25)31-15(26,27)13(29,22)23/h2-7H,1H3,(H,28,30)/t7-,10-/m0/s1.
What are the key properties of (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide?
(2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 478.23 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3,3-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 14641181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).