[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium

C12H12F7N2O+ — CID 2484056

IUPAC[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium
SMILESC[C@H](NC(=O)[C@](F)([NH2+]C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F7N2O/c1-7(8-5-3-2-4-6-8)20-9(22)10(13,11(14,15)16)21-12(17,18)19/h2-7,21H,1H3,(H,20,22)/p+1/t7-,10-/m0/s1
InChIKeyWGNUDVQAHOGFJX-XVKPBYJWSA-O
MW333.23 g/mol
LogP2.18
Rot. Bonds4

About [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium

[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium (PubChem CID 2484056) has the molecular formula C12H12F7N2O+ and a molecular weight of 333.23 g/mol. Its IUPAC name is [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium.

Molecular Properties

Compound Name[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium
PubChem CID2484056
Molecular FormulaC12H12F7N2O+
Molecular Weight333.23 g/mol
Exact Mass333.08
IUPAC Name[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium
SMILESC[C@H](NC(=O)[C@](F)([NH2+]C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C12H11F7N2O/c1-7(8-5-3-2-4-6-8)20-9(22)10(13,11(14,15)16)21-12(17,18)19/h2-7,21H,1H3,(H,20,22)/p+1/t7-,10-/m0/s1
InChIKeyWGNUDVQAHOGFJX-XVKPBYJWSA-O
XLogP2.18
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
(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
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81360069

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium?
The IUPAC name of [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium (CID 2484056) is [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium.
What is the SMILES notation for [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium?
The canonical SMILES for [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium is C[C@H](NC(=O)[C@](F)([NH2+]C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium?
The InChIKey is WGNUDVQAHOGFJX-XVKPBYJWSA-O. The full InChI is InChI=1S/C12H11F7N2O/c1-7(8-5-3-2-4-6-8)20-9(22)10(13,11(14,15)16)21-12(17,18)19/h2-7,21H,1H3,(H,20,22)/p+1/t7-,10-/m0/s1.
What are the key properties of [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium?
[(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium has a molecular weight of 333.23 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1,2-tetrafluoro-3-oxo-3-[[(1S)-1-phenylethyl]amino]propan-2-yl]-(trifluoromethyl)azanium is sourced from PubChem (CID 2484056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).