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

C10H18F3NO3 — CID 111447451

IUPACN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(O)CC(C)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-7(3-8(2)15)4-14-9(16)5-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyZYNKFQZYNPTSAS-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.09
Rot. Bonds7

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

N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 111447451) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID111447451
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC NameN-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(O)CC(C)CNC(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO3/c1-7(3-8(2)15)4-14-9(16)5-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16)
InChIKeyZYNKFQZYNPTSAS-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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Related Compounds

2-[3-(methylaminomethyl)cyclobutyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65990889
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 86985445
N-(4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990487
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 102737587
2-(4-methylpiperidin-3-yl)oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 102954384
N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209126
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209141
N-(2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209173
N-(3-ethyl-2-hydroxypentyl)-2,2,2-trifluoroacetamide
CID 103658306
N-[(3-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103690914
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103711849

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 111447451) is N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is CC(O)CC(C)CNC(=O)COCC(F)(F)F.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ZYNKFQZYNPTSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-7(3-8(2)15)4-14-9(16)5-17-6-10(11,12)13/h7-8,15H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(4-hydroxy-2-methylpentyl)-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-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 111447451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).