N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

C10H18F3NO3 — CID 103772576

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3-4-15)6-14-8(16)5-17-7-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyYMRIPQNUOKUZHS-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.09
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103772576) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103772576
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(CCO)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-9(2,3-4-15)6-14-8(16)5-17-7-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16)
InChIKeyYMRIPQNUOKUZHS-UHFFFAOYSA-N
XLogP1.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103772576) is N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(CCO)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YMRIPQNUOKUZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-9(2,3-4-15)6-14-8(16)5-17-7-10(11,12)13/h15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 257.25 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103772576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).