tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate

C15H20F3NO3 — CID 87286098

IUPACtert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20F3NO3/c1-10(19(21)13(20)22-14(2,3)4)8-11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10,21H,8H2,1-4H3
InChIKeyWYQMSZKLEQHJDK-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.26
Rot. Bonds3

About tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate

tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate (PubChem CID 87286098) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
PubChem CID87286098
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Nametert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCC(Cc1cccc(C(F)(F)F)c1)N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20F3NO3/c1-10(19(21)13(20)22-14(2,3)4)8-11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10,21H,8H2,1-4H3
InChIKeyWYQMSZKLEQHJDK-UHFFFAOYSA-N
XLogP4.26
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate (CID 87286098) is tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate is CC(Cc1cccc(C(F)(F)F)c1)N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The InChIKey is WYQMSZKLEQHJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c1-10(19(21)13(20)22-14(2,3)4)8-11-6-5-7-12(9-11)15(16,17)18/h5-7,9-10,21H,8H2,1-4H3.
What are the key properties of tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate has a molecular weight of 319.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 87286098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).