N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C11H9F6NO4 — CID 1482355

IUPACN-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c12-10(13,14)4-21-6-1-2-8(22-5-11(15,16)17)7(3-6)9(19)18-20/h1-3,20H,4-5H2,(H,18,19)
InChIKeyFECDOUFJJIHVPV-UHFFFAOYSA-N
MW333.18 g/mol
LogP2.69
Rot. Bonds5

About N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 1482355) has the molecular formula C11H9F6NO4 and a molecular weight of 333.18 g/mol. Its IUPAC name is N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID1482355
Molecular FormulaC11H9F6NO4
Molecular Weight333.18 g/mol
Exact Mass333.04
IUPAC NameN-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c12-10(13,14)4-21-6-1-2-8(22-5-11(15,16)17)7(3-6)9(19)18-20/h1-3,20H,4-5H2,(H,18,19)
InChIKeyFECDOUFJJIHVPV-UHFFFAOYSA-N
XLogP2.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 1482355) is N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide is O=C(NO)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is FECDOUFJJIHVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO4/c12-10(13,14)4-21-6-1-2-8(22-5-11(15,16)17)7(3-6)9(19)18-20/h1-3,20H,4-5H2,(H,18,19).
What are the key properties of N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 333.18 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 1482355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).