N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide

C12H14F3NO3 — CID 54055046

IUPACN-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
SMILESCCC(OC(c1ccccc1)C(F)(F)F)C(=O)NO
InChIInChI=1S/C12H14F3NO3/c1-2-9(11(17)16-18)19-10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10,18H,2H2,1H3,(H,16,17)
InChIKeyLVQNTUIBVAZJQB-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.59
Rot. Bonds5

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

N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide (PubChem CID 54055046) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
PubChem CID54055046
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide
SMILESCCC(OC(c1ccccc1)C(F)(F)F)C(=O)NO
InChIInChI=1S/C12H14F3NO3/c1-2-9(11(17)16-18)19-10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10,18H,2H2,1H3,(H,16,17)
InChIKeyLVQNTUIBVAZJQB-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 344960
CID 344960
CID 14984919
CID 14984919
CID 344721
CID 344721
CID 76317340
CID 76317340
CID 76335520
CID 76335520
CID 91805047
CID 91805047
CID 132427165
CID 132427165
CID 134917967
CID 134917967
CID 11118838
CID 11118838
CID 130650652
CID 130650652
CID 15038965
CID 15038965
CID 20571153
CID 20571153

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The IUPAC name of N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide (CID 54055046) is N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide.
What is the SMILES notation for N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The canonical SMILES for N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide is CCC(OC(c1ccccc1)C(F)(F)F)C(=O)NO.
What is the InChIKey of N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
The InChIKey is LVQNTUIBVAZJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-9(11(17)16-18)19-10(12(13,14)15)8-6-4-3-5-7-8/h3-7,9-10,18H,2H2,1H3,(H,16,17).
What are the key properties of N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide?
N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide has a molecular weight of 277.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(2,2,2-trifluoro-1-phenylethoxy)butanamide is sourced from PubChem (CID 54055046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).