N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide

C12H12F3NO4 — CID 20571153

IUPACN-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
SMILESO=CC(CC(=O)NO)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)11(8-4-2-1-3-5-8)20-9(7-17)6-10(18)16-19/h1-5,7,9,11,19H,6H2,(H,16,18)
InChIKeyBPMLJQCZYBDDMP-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.77
Rot. Bonds6

About N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide

N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide (PubChem CID 20571153) has the molecular formula C12H12F3NO4 and a molecular weight of 291.22 g/mol. Its IUPAC name is N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
PubChem CID20571153
Molecular FormulaC12H12F3NO4
Molecular Weight291.22 g/mol
Exact Mass291.07
IUPAC NameN-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide
SMILESO=CC(CC(=O)NO)OC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)11(8-4-2-1-3-5-8)20-9(7-17)6-10(18)16-19/h1-5,7,9,11,19H,6H2,(H,16,18)
InChIKeyBPMLJQCZYBDDMP-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-Difluorophenyl)methoxy]butanamide
CID 91805047
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
CID 54055046
3-[bis(4-fluorophenyl)methoxy]-N-hydroxypropanamide
CID 58811248
N-hydroxy-2-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)pentanamide
CID 140333047
2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide
CID 81341057
N-hydroxy-8-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]octanamide
CID 145473798
N'-hydroxy-N-methoxy-2-phenylmethoxybutanediamide
CID 53695824
N'-hydroxy-N,2-bis(phenylmethoxy)butanediamide
CID 53707711
N'-hydroxy-2-phenylmethoxy-N-propan-2-yloxybutanediamide
CID 53713254
(2R)-2-(1-phenylethoxy)butanediamide
CID 53881514
N,N'-dihydroxy-2-phenylmethoxybutanediamide
CID 53913064
N-ethoxy-N'-hydroxy-2-phenylmethoxybutanediamide
CID 54310499

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The IUPAC name of N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide (CID 20571153) is N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide.
What is the SMILES notation for N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The canonical SMILES for N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide is O=CC(CC(=O)NO)OC(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The InChIKey is BPMLJQCZYBDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO4/c13-12(14,15)11(8-4-2-1-3-5-8)20-9(7-17)6-10(18)16-19/h1-5,7,9,11,19H,6H2,(H,16,18).
What are the key properties of N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide has a molecular weight of 291.22 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-oxo-3-(2,2,2-trifluoro-1-phenylethoxy)butanamide is sourced from PubChem (CID 20571153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).