N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide

C13H13F6NO2 — CID 102119023

IUPACN-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CN(Cc1ccccc1)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO2/c1-11(22,13(17,18)19)8-20(10(21)12(14,15)16)7-9-5-3-2-4-6-9/h2-6,22H,7-8H2,1H3
InChIKeyDUYGBEKJHRDEFR-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.89
Rot. Bonds4

About N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide

N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (PubChem CID 102119023) has the molecular formula C13H13F6NO2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
PubChem CID102119023
Molecular FormulaC13H13F6NO2
Molecular Weight329.24 g/mol
Exact Mass329.09
IUPAC NameN-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CN(Cc1ccccc1)C(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H13F6NO2/c1-11(22,13(17,18)19)8-20(10(21)12(14,15)16)7-9-5-3-2-4-6-9/h2-6,22H,7-8H2,1H3
InChIKeyDUYGBEKJHRDEFR-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide (CID 102119023) is N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is CC(O)(CN(Cc1ccccc1)C(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is DUYGBEKJHRDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO2/c1-11(22,13(17,18)19)8-20(10(21)12(14,15)16)7-9-5-3-2-4-6-9/h2-6,22H,7-8H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide?
N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 102119023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).